SCP Accelerating Discovery with a Global Web of Autonomous Scientific Agents

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πŸ“ Original Paper Info

- Title: SCP Accelerating Discovery with a Global Web of Autonomous Scientific Agents
- ArXiv ID: 2512.24189
- Date: 2025-12-30
- Authors: Yankai Jiang, Wenjie Lou, Lilong Wang, Zhenyu Tang, Shiyang Feng, Jiaxuan Lu, Haoran Sun, Yaning Pan, Shuang Gu, Haoyang Su, Feng Liu, Wangxu Wei, Pan Tan, Dongzhan Zhou, Fenghua Ling, Cheng Tan, Bo Zhang, Xiaosong Wang, Lei Bai, Bowen Zhou

πŸ“ Abstract

We introduce SCP: the Science Context Protocol, an open-source standard designed to accelerate discovery by enabling a global network of autonomous scientific agents. SCP is built on two foundational pillars: (1) Unified Resource Integration: At its core, SCP provides a universal specification for describing and invoking scientific resources, spanning software tools, models, datasets, and physical instruments. This protocol-level standardization enables AI agents and applications to discover, call, and compose capabilities seamlessly across disparate platforms and institutional boundaries. (2) Orchestrated Experiment Lifecycle Management: SCP complements the protocol with a secure service architecture, which comprises a centralized SCP Hub and federated SCP Servers. This architecture manages the complete experiment lifecycle (registration, planning, execution, monitoring, and archival), enforces fine-grained authentication and authorization, and orchestrates traceable, end-to-end workflows that bridge computational and physical laboratories. Based on SCP, we have constructed a scientific discovery platform that offers researchers and agents a large-scale ecosystem of more than 1,600 tool resources. Across diverse use cases, SCP facilitates secure, large-scale collaboration between heterogeneous AI systems and human researchers while significantly reducing integration overhead and enhancing reproducibility. By standardizing scientific context and tool orchestration at the protocol level, SCP establishes essential infrastructure for scalable, multi-institution, agent-driven science.

πŸ’‘ Summary & Analysis

This paper compiles a variety of tools extensively used in life sciences and engineering. It focuses particularly on protein function prediction, molecular structure visualization, and biological data processing. Each tool is specialized for specific computational or analytical tasks, significantly enhancing efficiency in solving complex problems within the fields of life sciences and engineering.

πŸ“„ Full Paper Content (ArXiv Source)

Tool Name Description Category
Tool Name Description Category
Predict protein function. Computational Tools
Predict functional residue. Computational Tools
Check if the input protein sequence string is valid. Computational Tools
Check if the input SMILES string is valid Computational Tools
Convert a list of SMILES strings or a list of SMI file paths into other molecular formats. Computational Tools
Convert a protein file from PDB format to PDBQT format for docking preparation. Computational Tools
Convert a protein-ligand complex file from CIF format to PDB format. Computational Tools
Visualize the protein structure and save as an image. Computational Tools
Visualize the molecular structure and save as an image. Computational Tools
Visualize the protein-ligand complex structure and save as an image. Computational Tools
Use PDBFixer to repair the protein structure PDB file in preparation for molecular docking. Computational Tools
Read the input smi file and extract the SMILES strings along with their corresponding compound names. Computational Tools
Parse protein sequences from the input fasta file. Computational Tools
Compute a set of basic molecular properties for each SMILES. Computational Tools
Compute hydrophobicity-related molecular descriptors for each SMILES. Computational Tools
Compute hydrogen bonding-related properties for each SMILES. Computational Tools
Compute a set of molecular complexity descriptors for each SMILES. Computational Tools
Compute a set of topological descriptors for each SMILES. Computational Tools
Compute key drug-likeness metrics for each SMILES. Computational Tools
Compute Gasteiger partial charges and formal charge for each SMILES. Computational Tools
Compute custom molecular complexity-related descriptors for each SMILES. Computational Tools
Compute a set of physicochemical properties for the input protein sequence. Computational Tools
Read a protein pdb file and compute basic structural statistics. Computational Tools
Read a protein pdb file and compute key geometric properties based on $`C_\alpha`$ atom coordinates. Computational Tools
Read a protein pdb file and compute three key quality indicators. Computational Tools
Read a protein pdb file and analyze compositional details by counting occurrences of each atom name, residue name, and the number of atoms per chain. Computational Tools
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints. Computational Tools
Extract the specified chain or the longest amino-acid chain from the input protein structure file and save as a new PDB file. Computational Tools
Extract the amino acid sequence of each chain from the PDB file. Computational Tools
Convert files smaller than 10MB to Base64 encoding. Computational Tools
Convert Base64 encoding back to a file. Computational Tools
Use P2Rank to predict ligand binding pockets in the input protein. Computational Tools
Perform molecular docking using QuickVina2-GPU. Computational Tools
Enter a list of candidate small molecules. Computational Tools
Use Boltz to predict binding affinity between protein (receptor) and small molecules (ligands). Computational Tools
Use fpocket to predict protein pockets and set it as the default tool for pocket prediction. Computational Tools
Map CDS coordinates to genomic coordinates. Computational Tools
Translate between different variant nomenclature systems and representations. Computational Tools
Computes and returns LD values between the given variant and all other variants in a window. Computational Tools
Computes and returns LD values between the given variants. Computational Tools
Computes and returns LD values between all pairs of variants in the defined region. Computational Tools
Map coordinates between assemblies. Computational Tools
Computes observed transcript haplotype sequences based on phased genotype data. Computational Tools
Batch predict the functional effects of multiple variants using VEP with HGVS notation. Computational Tools
Get data from a specific track for a genomic region. Computational Tools
Comprehensive protein analysis combining InterProScan (domain analysis) and BLAST (similarity search). Computational Tools
Complete code to perform a certain calculation. Computational Tools
Perform a general validation/check operation. Computational Tools
Insert an item into a target. Computational Tools
Open an item. Computational Tools
Analyze real-time PCR run results using a specified analysis software. Computational Tools
Generate executable JSON file from protocol text. Computational Tools
Extract experimental protocol from a provided PDF Params: pdf_url (str): PDF file URL Returns: protocol (str): protocol text Arg: arguments (dict) - Tool parameter dictionary Computational Tools
Calculate the geometric term $`\sqrt{\pi a}`$. Computational Tools
Calculate the stress intensity factor KI. Computational Tools
Determine if fracture occurs. Computational Tools
Calculate the ratio of the new mobility relative to the original mobility. Computational Tools
Calculate the unit cell volume of a crystal with lattice constant a. Computational Tools
Calculate density as mass divided by volume. Computational Tools
Calculate the proportionality constant K from known diameter, length, and weight. Computational Tools
Calculate the moment of inertia of a ring. Computational Tools
Calculate the moment of inertia of a spoke (rod) about one end. Computational Tools
Calculate total moment of inertia of all spokes. Computational Tools
Calculate the weight of concrete. Computational Tools
Convert crack length to meters based on the specified unit. Computational Tools
Calculate critical stress using Griffith-Irwin equation. Computational Tools
Validate that the axial strain is non-zero. Computational Tools
Compute the material density based on specific gravity. Computational Tools
Calculate the volume in cubic meters given mass and density. Computational Tools
Calculate the angular frequency of a harmonic oscillator. Computational Tools
Calculate density in g/cmΒ³. Computational Tools
Convert Young’s modulus from GPa to MPa. Computational Tools
Calculate the exponent used in the Mott VRH model based on system dimension. Computational Tools
Calculate the magnetic anisotropy energy. Computational Tools
Convert elastic modulus from GPa to Pa. Computational Tools
Calculate the stiffness contribution (E * A) for a material. Computational Tools
Sum individual stiffness contributions to get total stiffness. Computational Tools
Calculate tensile stress in Pascals. Computational Tools
Convert stress from Pascals to Megapascals. Computational Tools
Calculate the volume of the oil droplet. Computational Tools
Calculate atomic packing factor (APF). Computational Tools
Calculate percentage difference between two packing factors. Computational Tools
Validate that the stress unit is within the allowed units. Computational Tools
Calculate elastic modulus of alloy using rule of mixtures. Computational Tools
Calculate the moment of inertia of a hollow sphere about its diameter. Computational Tools
Calculate yield strength using Hall-Petch equation. Computational Tools
Calculate the strain (dimensionless) from elongation and original length. Computational Tools
Calculate the elastic energy density (J/mΒ³) from Young’s modulus and strain. Computational Tools
Calculate the total elastic energy stored in the material. Computational Tools
Convert stress to Pascals (Pa). Computational Tools
Convert a stress value from Pascals to the specified output unit. Computational Tools
Compute the compression ratio. Computational Tools
Calculate mass from volume and density. Computational Tools
Calculate weight in Newtons. Computational Tools
Calculate buoyant force in Newtons. Computational Tools
Calculate total thickness in nanometers. Computational Tools
Calculate the transverse strain using Poisson’s ratio and longitudinal strain. Computational Tools
Calculate the length change due to thermal expansion. Computational Tools
Calculate the final length after thermal contraction. Computational Tools
Calculate the relative change in length as a percentage. Computational Tools
Calculate the minimum coating thickness needed for waterproofing ($`\theta \geq 90^{\circ}`$). Computational Tools
Calculate the atomic radius for BCC structure. Computational Tools
Calculate the density of a BCC structured material. Computational Tools
Calculate stress according to Hooke’s law. Computational Tools
Determine whether interface debonding will occur. Computational Tools
Calculate safety factor. Computational Tools
Convert stress from MPa to Pascals. Computational Tools
Calculate the plastic section modulus Z for a rectangular cross-section. Computational Tools
Calculate the plastic moment Mp in kNΒ·m. Computational Tools
Compute the density from mass and volume. Computational Tools
Convert shear modulus from GPa to Pa. Computational Tools
Calculate the moment of inertia of a hollow cylinder about its central axis. Computational Tools
Calculate the final surface roughness after reduction. Computational Tools
Calculate the percentage increase in hardness. Computational Tools
Calculate impact toughness in J/$`m^2`$. Computational Tools
Convert impact toughness from J/$`m^2`$ to kJ/$`m^2`$. Computational Tools
Calculate volume occupied by suspended solids (mΒ³/mΒ²). Computational Tools
Calculate stress amplitude. Computational Tools
Calculate mean stress. Computational Tools
Calculate stress ratio R = $`\sigma_{min} / \sigma_{max}`$. Computational Tools
Compute the numerator for Jurin’s law: $`2\times \sigma \times cos(\theta)`$. Computational Tools
Sorts a list of three stresses in descending order. Computational Tools
Calculates the maximum shear stress from principal stresses. Computational Tools
Calculate the plastic zone radius. Computational Tools
Calculate specific surface area (SSA) based on constant k and diameter. Computational Tools
Calculate the interplanar spacing for a BCC crystal. Computational Tools
Check if the (h,k,l) plane is allowed for diffraction in BCC structure. Computational Tools
Calculate minimum grain size according to maximum corrosion rate and porosity. Computational Tools
Calculate the elongation of the specimen. Computational Tools
Determine if interface stress exceeds allowable stress. Computational Tools
Find the conductivity at zero strain. Computational Tools
Calculate the characteristic length as the ratio of diffusion coefficient to front velocity. Computational Tools
Convert Young’s modulus to Pascals. Computational Tools
Calculate the total mass of a material. Computational Tools
Calculate shear stress in pascals. Computational Tools
Assess safety based on shear stress and allowable stress. Computational Tools
Calculate the moment of inertia for a rectangular cross-section. Computational Tools
Return the theoretical packing factor for FCC. Computational Tools
Calculate the stress amplitude from maximum and minimum stresses. Computational Tools
Calculate the fatigue life (number of cycles) from stress ratio, fatigue strength coefficient, and exponent. Computational Tools
Determine if material is in elastic deformation stage. Computational Tools
Calculate effective elastic modulus of porous materials. Computational Tools
Assign default parameters for a given material type. Computational Tools
Calculate kd divided by sqrt(d). Computational Tools
Calculate the yield strength based on $`\sigma_0`$ and $`\frac{kd}{\sqrt{d}}`$. Computational Tools
Calculate the weight of the wire (gravitational force). Computational Tools
Calculate the moment of inertia for a solid sphere. Computational Tools
Determine which material has higher remaining strength. Computational Tools
Calculate the initial volume of a material. Computational Tools
Calculate the maximum compressive force. Computational Tools
Calculate the difference between fiber and matrix elastic moduli. Computational Tools
Calculate the contribution of fibers to the composite elastic modulus. Computational Tools
Calculate mass from density and volume. Computational Tools
Calculate the polar moment of inertia $`J = \frac{\pi}{2} \cdot r^4`$. Computational Tools
Calculate allowable shear stress, which is half of the yield strength. Computational Tools
Determine if plastic deformation will occur. Computational Tools
Calculate the volume of a material based on its mass and density. Computational Tools
Calculate surface roughness (Ra) based on thickness. Computational Tools
Calculate interface stress. Computational Tools
Convert resistance from kilo-ohms to ohms. Computational Tools
Calculate required voltage using Ohm’s Law V = I Γ— R. Computational Tools
Calculate noise current. Computational Tools
Calculate the capacitance in Farads based on physical parameters. Computational Tools
Calculate the electric charge in a capacitor. Computational Tools
Calculate the capacitance after inserting dielectric. Computational Tools
Calculate voltage from charge and capacitance. Computational Tools
Calculate the cell potential (V) from cathode and anode potentials. Computational Tools
Compute the electrical conductivity using the Mott VRH model. Computational Tools
Calculate the electric field strength between two plates. Computational Tools
Calculate the total charge on the oil droplet. Computational Tools
Calculate the mass of the oil droplet based on electric force balance. Computational Tools
Calculate the charge stored on a capacitor. Computational Tools
Calculate the energy difference between two energy levels (in eV). Computational Tools
Calculate resistivity from conductivity. Computational Tools
Calculate the vacuum capacitance of a parallel plate capacitor. Computational Tools
Calculate the energy stored in a capacitor. Computational Tools
Calculate the electric potential at a given position ratio between plates. Computational Tools
Calculate the electric field strength produced by a point charge. Computational Tools
Calculate the force experienced by a charge in an electric field. Computational Tools
Calculate the equivalent resistance of resistors in parallel. Computational Tools
Calculate the maximum output voltage of a series-connected battery pack. Computational Tools
Calculate the duty cycle for a boost converter. Computational Tools
Calculate the magnitude of the induced EMF. Computational Tools
Calculate the voltage across a resistor using Ohm’s Law. Computational Tools
Calculate the current needed for a specified output power given the battery voltage. Computational Tools
Calculate total current consumption including quiescent and output currents. Computational Tools
Calculate the battery life in hours. Computational Tools
Calculate the RC time constant ($`\tau`$) for an RC circuit. Computational Tools
Calculate the absolute permittivity of a dielectric material. Computational Tools
Calculate the capacitance of a parallel plate capacitor. Computational Tools
Calculate the energy stored in a capacitor. Computational Tools
Calculate the current required to generate a specified heat energy in a resistor over a given time. Computational Tools
Calculate the vacuum magnetic permeability ($`\mu_o`$). Computational Tools
Calculate the magnetic flux density B. Computational Tools
Return the vacuum permittivity (epsilon_0) in F/m. Computational Tools
Convert energy to charge (Coulombs). Computational Tools
Convert Coulombs to milliamp-hours. Computational Tools
Calculate the RC time constant. Computational Tools
Calculate the collector current in a transistor circuit. Computational Tools
Calculate the emitter current in a transistor circuit. Computational Tools
Calculate voltage drop across a resistor. Computational Tools
Calculate the power supply voltage Vcc. Computational Tools
Calculate Vcc using the analytical formula for verification. Computational Tools
Calculate the total number of turns in a solenoid. Computational Tools
Calculate the number of turns per meter for a solenoid. Computational Tools
Calculate the number of conduction electrons. Computational Tools
Calculate the current in a circuit. Computational Tools
Calculate the terminal voltage of the battery. Computational Tools
Calculate resistivity at a specific temperature. Computational Tools
Calculate the coating thickness in meters. Computational Tools
Calculate new short-circuit current. Computational Tools
Calculate maximum power output (W). Computational Tools
Calculate the effective voltage after voltage drop. Computational Tools
Calculate the percentage of voltage drop. Computational Tools
Calculate the average current over a cycle. Computational Tools
Calculate the average voltage drop over a cycle. Computational Tools
Calculate the velocity of a charged particle in a uniform magnetic field. Computational Tools
Calculate the conductivity ratio assuming proportionality to mobility. Computational Tools
Calculate the new conductivity if original conductivity is known. Computational Tools
Calculate the power consumption of a resistor. Computational Tools
Assess whether the resistor’s rated power is sufficient and provide recommendation. Computational Tools
Determine the electric charge of a particle based on its type. Computational Tools
Calculate percentage change in resistance. Computational Tools
Calculate voltage per LSB for an ADC. Computational Tools
Convert inherent noise in LSB to voltage value. Computational Tools
Find the critical current density Jc0 at zero magnetic field. Computational Tools
Find the magnetic field strength H0 at zero critical current density. Computational Tools
Round the exact flux quantum number to an integer using specified method. Computational Tools
Calculate the new mobility after decrease. Computational Tools
Calculate the absolute decrease between two values. Computational Tools
Calculate the minimum magnetic field strength needed for magnetization. Computational Tools
Verify that the duty cycle is within the valid range [0, 1]. Computational Tools
Calculate heat released during combustion. Computational Tools
Calculate the net buoyancy coefficient from the density ratio. Computational Tools
Calculate the upward acceleration of the hot air balloon. Computational Tools
Calculate the ratio of target phonon mean free path to reference value. Computational Tools
Calculate the new welding speed after applying a speed factor. Computational Tools
Calculate the new laser power to maintain welding depth after increasing speed. Computational Tools
Calculate the theoretical welding depth. Computational Tools
Convert temperature from Celsius to Kelvin. Computational Tools
Calculate the thermal energy stored during a phase change. Computational Tools
Convert Celsius temperature to Kelvin. Computational Tools
Get water vapor pressure at a specific temperature. Computational Tools
Calculate the thermal resistance R = d / k. Computational Tools
Calculate the temperature difference. Computational Tools
Explain the relationship between thermal expansion coefficient ($`\alpha`$) and thermal strain rate sensitivity index (m). Computational Tools
Aggregate intermediate values and results into a dictionary. Computational Tools
Calculate heat absorbed. Computational Tools
Calculate the required heat energy. Computational Tools
Calculate the specific heat capacity (c) using heat energy, mass, and temperature change. Computational Tools
Return degeneracy array for each energy level. Computational Tools
Calculate the ratio of new energy to initial energy. Computational Tools
Calculate thermal conductivity of the target material from a known reference and ratio. Computational Tools
Generate a string for analytical temperature distribution expression. Computational Tools
Calculate the temperature difference. Computational Tools
Calculate the cooling time. Computational Tools
Calculate the temperature change. Computational Tools
Calculate the temperature gradient (Β°C/m) along a material. Computational Tools
Calculate the heat flux (W/m^2) using Fourier’s law. Computational Tools
Calculate the total heat conduction rate (W) through a material. Computational Tools
Calculate kinetic energy from energy density and volume. Computational Tools
Convert normalized temperature to Celsius. Computational Tools
Calculate temperature points T1 and T2 based on T_c and their ratios. Computational Tools
Calculate the energy released during phase change. Computational Tools
Calculate the gravitational potential energy. Computational Tools
Calculate the heat energy absorbed. Computational Tools
Calculate the temperature increase. Computational Tools
Calculate the difference between the thermal expansion coefficients of two materials. Computational Tools
Convert temperature to Kelvin. Computational Tools
Calculate Carnot efficiency. Computational Tools
Calculate the heat flux using Fourier’s law. Computational Tools
Calculate the total heat flow rate. Computational Tools
Calculate the total thermal resistance by summing individual resistances. Computational Tools
Add optional resistance to total if specified. Computational Tools
Calculate the heat energy required for heating. Computational Tools
Calculate the opposite (negation) of a heat value. Computational Tools
Calculate the mass of ice melted from the given energy. Computational Tools
Adjust energy to account for transfer efficiency. Computational Tools
Calculate the work done during an isothermal process for an ideal gas. Computational Tools
Calculate the change in internal energy for an ideal gas during an isothermal process. Computational Tools
Calculate the heat transfer based on the first law of thermodynamics. Computational Tools
Convert energy from MeV to Joules (J). Computational Tools
Calculate total heat based on enthalpy and moles. Computational Tools
Calculate heat per gram of adsorbent. Computational Tools
Calculate the temperature difference across a flat plate. Computational Tools
Return the Boltzmann constant (J/K). Computational Tools
Calculate heat generation rate per unit volume. Computational Tools
Calculate heat loss coefficient due to ventilation. Computational Tools
Calculate the final temperature in Kelvin. Computational Tools
Calculate time (seconds) to weld per millimeter. Computational Tools
Calculate heat input in Joules per millimeter. Computational Tools
Calculate the clearing temperature of a liquid crystal polymer. Computational Tools
Calculate dynamic viscosity $`\mu = \nu \cdot \rho`$. Computational Tools
Calculate the velocity gradient at $`y = -h`$ for the flow profile. Computational Tools
Calculate the drag coefficient (Cd) based on roughness. Computational Tools
Calculate the drag force based on fluid properties and drag coefficient. Computational Tools
Calculate total influent volume (mΒ³/mΒ²) over a given period. Computational Tools
Calculate the pore volume of the filter (mΒ³/mΒ²). Computational Tools
Calculate the fraction of filter pore volume occupied by solids. Computational Tools
Calculate infiltration through traditional pavement. Computational Tools
Calculate infiltration through permeable pavement. Computational Tools
Calculate the additional infiltration volume. Computational Tools
Calculate water mass in grams. Computational Tools
Compute the denominator for Jurin’s law: rho * g * d. Computational Tools
Calculate the capillary rise height. Computational Tools
Calculate the mass of the liquid. Computational Tools
Calculate the ratio of two densities. Computational Tools
Calculate gas permeability. Computational Tools
Calculate the minimum release height for a rolling solid sphere on a circular track. Computational Tools
Calculate incident photon rate. Computational Tools
Calculate the multiplicative effect of laser power increase on scattered photon rate. Computational Tools
Calculate reflectance at normal incidence using Fresnel equation. Computational Tools
Calculate the wavenumber for a hydrogen spectral line. Computational Tools
Calculate the wave number ratio k’/k in a dielectric material. Computational Tools
Calculate the wave number in a medium. Computational Tools
Calculate the transmission coefficient at the interface. Computational Tools
Calculate the minimum wavelength based on film thickness. Computational Tools
Calculate the maximum frequency for wave propagation. Computational Tools
Calculate the frequency range of electromagnetic waves. Computational Tools
Calculate the absorption ratio based on absorption coefficient and thickness. Computational Tools
Convert wavelength from nanometers to meters. Computational Tools
Generate wave function expressions for each quantum number. Computational Tools
Calculate photon energy in joules. Computational Tools
Determine if photon energy is sufficient to excite electron. Computational Tools
Calculate the numerical aperture (NA) of an optical fiber. Computational Tools
Calculate the emission rate W given free space rate and enhancement. Computational Tools
Calculate the rate of change of magnetic field. Computational Tools
Calculate the electron wavelength considering relativistic effects. Computational Tools
Calculate the Bragg angle in radians. Computational Tools
Calculate laser intensity. Computational Tools
Calculate radiation pressure. Computational Tools
Calculate photon energy in eV from wavelength. Computational Tools
Calculate total power in the spot area. Computational Tools
Calculate the photon flux per second. Computational Tools
Calculate the minimum film thickness for minimal normal incidence reflection. Computational Tools
Calculate the ratio of new irradiance to standard irradiance. Computational Tools
Calculate new max power point current. Computational Tools
Compute the difference between light and dark signal means. Computational Tools
Convert wavelength to meters. Computational Tools
Calculate volume in milliliters from mass and density. Computational Tools
Calculate the molar mass of a compound. Computational Tools
Convert mass to moles. Computational Tools
Calculate the mass of the unit cell based on density and volume. Computational Tools
Calculate number of atoms per unit cell. Computational Tools
Calculate volume in liters. Computational Tools
Calculate molarity of the solution. Computational Tools
Calculate pH from pOH. Computational Tools
Calculate the square root of the ratio of two molar masses. Computational Tools
Calculate the mass of solute in a saturated solution. Computational Tools
Calculate total mass of the saturated solution. Computational Tools
Calculate the mass percentage of the solute in the solution. Computational Tools
Calculate the reaction rate constant k from the half-life. Computational Tools
Calculate initial moles of gas using PV = nRT. Computational Tools
Calculate the number of molecules from moles. Computational Tools
Calculate remaining molecules after reaction_time_hours based on half-life. Computational Tools
Calculate the energy of an electron in a hydrogen atom at principal quantum number n. Computational Tools
Calculate the ionization energy as the absolute value of the energy level. Computational Tools
Calculate moles of hydrogen gas using ideal gas law. Computational Tools
Calculate the amount (moles) of gas. Computational Tools
Calculate the partial pressure of a gas (atm). Computational Tools
Calculate solution volume in mL from mass and density. Computational Tools
Determine the number of electrons transferred in the reaction. Computational Tools
Calculate Gibbs free energy change (J/mol). Computational Tools
Calculate the decay constant $`\lambda`$ given the known final mass, initial mass, and elapsed time. Computational Tools
Calculate the half-life $`T_{1/2}`$ from decay constant $`\lambda`$. Computational Tools
Calculate the remaining mass after a certain time using decay constant. Computational Tools
Calculate the mass of the content substance. Computational Tools
Calculate the molar amount of a component given total moles and mol%. Computational Tools
Retrieve the molar mass of a specified acid. Computational Tools
Convert density from g/mL to g/L. Computational Tools
Calculate the mass of acid in 1 liter of solution. Computational Tools
Calculate mass of a component based on weight fraction. Computational Tools
Convert weight percentage to weight fraction. Computational Tools
Calculate the final doping concentration after growth. Computational Tools
Return molecular mass in amu for a given molecule type. Computational Tools
Calculate the moles of Ni deposited. Computational Tools
Calculate the mass of Ni deposited in grams. Computational Tools
Calculate remaining moles of Ni ions after deposition. Computational Tools
Calculate the target moles of Ni ions after treatment. Computational Tools
Calculate the moles of Ni ions to be adsorbed. Computational Tools
Calculate the mass of adsorbent in kilograms. Computational Tools
Calculate the mass of the solute in grams. Computational Tools
Calculate $`Mg(OH)_2`$ solubility in pure water. Computational Tools
Calculate $`Mg(OH)_2`$ solubility in NaOH solution. Computational Tools
Calculate mass in grams from volume and density. Computational Tools
Calculate the required moles of calcium hydroxide based on acetic acid moles. Computational Tools
Convert concentration from mg/L to g/mΒ³. Computational Tools
Calculate decay constant $`\lambda`$ from half-life. Computational Tools
Calculate time t from decay constant and activity ratio. Computational Tools
Calculate the total moles of a substance. Computational Tools
Calculate total number of atoms from moles. Computational Tools
Calculate the number of nanoparticles. Computational Tools
Calculate the total moles of nanoparticles. Computational Tools
Calculate the molar concentration of nanoparticles. Computational Tools
Calculate the scaling factor based on actual and reference PVC masses. Computational Tools
Calculate the additive mass needed based on the scaling factor. Computational Tools
Calculate the moles of CO2 produced from propane. Computational Tools
Calculate the bond order given bonding and antibonding electrons. Computational Tools
Estimate the bond length for a given bond type. Computational Tools
Generate an analysis statement relating bond order to bond length. Computational Tools
Calculate the curing time needed to reach a target degree of curing. Computational Tools
Calculate the degree of curing at time t. Computational Tools
Calculate corrosion rate. Computational Tools
Calculate the number of unit cells in one mole of the compound. Computational Tools
Calculate the total volume occupied by one mole of the compound. Computational Tools
Calculate the molar mass of the compound. Computational Tools
Calculate the mass of a component. Computational Tools
Calculate the mass of each oxide. Computational Tools
Calculate zinc and copper masses from total mass and zinc percentage. Computational Tools
Calculate the number of atoms from moles. Computational Tools
Calculate total gas molecules based on volume and molecules per cc. Computational Tools
Calculate the atomic radius in FCC structure. Computational Tools
Calculate twice the atomic radius. Computational Tools
Calculate the crystallinity percentage based on density measurements. Computational Tools
Calculate the plating time needed to reach the target thickness. Computational Tools
Calculate alcohol proof from volume percentage. Computational Tools
Calculate required $`LiFePO_4`$ cathode material mass. Computational Tools
Calculate the number of atoms from moles. Computational Tools
Determine the number of atoms per unit cell based on crystal structure. Computational Tools
Calculate the mass of sodium benzoate. Computational Tools
Calculate the nucleophilic Fukui function $`f^{+}`$. Computational Tools
Calculate the electrophilic Fukui function $`f^{-}`$. Computational Tools
Calculate the Dual Descriptor f. Computational Tools
Return detailed explanation of the physical meaning of adsorption enthalpy ($`\Delta H_{ads}`$). Computational Tools
Calculate total coordination number based on cyclic ligand denticity and additional ligands. Computational Tools
Return the typical coordination number range for lanthanide elements. Computational Tools
Assess whether the total coordination number is within the typical lanthanide range. Computational Tools
Calculate the sum of two ionic radii, representing the distance between ions. Computational Tools
Calculate the tolerance factor t. Computational Tools
Assess perovskite structure stability based on tolerance factor t. Computational Tools
Parse electron configuration string, extract number of d electrons. Computational Tools
Calculate expected d electron count based on oxidation state, for verification. Computational Tools
Calculate total spin angular momentum S from number of d electrons. Computational Tools
Calculate the standard cell potential (EΒ°) from cathode and anode potentials. Computational Tools
Calculate the reaction quotient Q for the cell reaction. Computational Tools
Calculate the mass of a single suppository. Computational Tools
Return gas constant R in J/(molΒ·K). Computational Tools
Return Faraday constant F in C/mol. Computational Tools
Calculate the coefficient (RT)/(nF) for the Nernst equation. Computational Tools
Generate a sequence of molecular weight values within a specified range. Computational Tools
Calculate total mass of suspended solids in grams. Computational Tools
Calculate the final density of a material. Computational Tools
Calculate total PEG mass needed for all suppositories. Computational Tools
Calculate the sum of length and width given the perimeter. Computational Tools
Calculate the product of length and width given the volume and height. Computational Tools
Ensure that length >= width in the dimensions tuple. Computational Tools
Select the first dimension set as the final dimensions. Computational Tools
Round a value to a specified number of decimal places. Computational Tools
Calculate the area of a rectangle. Computational Tools
Calculate the angle $`\Theta`$ in radians from shear strain. Computational Tools
Convert radians to degrees. Computational Tools
Calculate $`\Phi`$ in degrees from $`\Theta`$ in degrees. Computational Tools
Calculate cot(2$`\Phi`$) as tan($`\Theta`$). Computational Tools
Verify if cot(2$`\Phi`$) is close to shear_strain / 2. Computational Tools
Calculate the volume of a rectangular prism. Computational Tools
Calculate volume in cubic centimeters. Computational Tools
Round a float to the nearest integer. Computational Tools
Calculate the area of a curb segment. Computational Tools
Sum a list of area values. Computational Tools
Round the volume in cubic feet to a specified number of decimal places. Computational Tools
Calculate the cross-sectional area of a rectangular prism. Computational Tools
Return the denominator (plate separation d). Computational Tools
Calculate the change in length. Computational Tools
Round a number to a specified number of significant figures. Computational Tools
Derive the gamma distribution’s MGF symbolically using sympy. Computational Tools
Round a value to a specified number of decimal places. Computational Tools
Calculate the diameter of a sphere given its radius. Computational Tools
Calculate total volume of all atoms in the unit cell. Computational Tools
Calculate total volume from component volumes. Computational Tools
Calculate volume fraction of a component. Computational Tools
Calculate the volume of a sphere given its radius. Computational Tools
Generate mesh coordinates for a sphere surface. Computational Tools
Calculate cross-sectional area. Computational Tools
Calculate the increase factor of K-points. Computational Tools
Calculate the percentage decrease based on absolute decrease and initial value. Computational Tools
Convert angle from degrees to radians. Computational Tools
Convert a percentage to a decimal ratio. Computational Tools
Compute the ratio of numerator to denominator. Computational Tools
Calculate the volume of a hollow cylinder. Computational Tools
Compute the constant c analytically so that the integral of f(x) = cx^2 over [0,1] equals 1. Computational Tools
Convert a percentage value to decimal. Computational Tools
Calculate the cosine of an angle in radians. Computational Tools
Calculate the ratio of initial to final values. Computational Tools
Calculate the sine of an angle in radians. Computational Tools
Calculate the height of the ramp. Computational Tools
Round a number to the nearest tenth. Computational Tools
Calculate the absolute difference between two numbers. Computational Tools
Calculate the number of bags needed to cover an area. Computational Tools
Calculate the total area of a rectangular region. Computational Tools
Calculate the area to be seeded with grass. Computational Tools
Calculate the area of a rectangle. Computational Tools
Calculate the volume of a unit cell. Computational Tools
Convert a ratio to a percentage. Computational Tools
Calculate the percentage increase from original_value to new_value. Computational Tools
Calculate maximum number of items that can fit into the storage space. Computational Tools
Calculate maximum storage days based on volume and space utilization. Computational Tools
Calculate the face diagonal length of the cubic cell. Computational Tools
Calculate the distance between neighboring atom centers. Computational Tools
Return the original algebraic expression string for the difference in tank volumes. Computational Tools
Factorize the formula for the volume difference. Computational Tools
Validate the correctness of the factorization. Computational Tools
Calculate z-coordinate of the curve at parameter t. Computational Tools
Calculate dz/dt at parameter t. Computational Tools
Calculate the analytical probability that X < value. Computational Tools
Convert angle from degrees to radians. Computational Tools
Calculate the square root of the grain size. Computational Tools
Calculate the area of a square. Computational Tools
Calculate the minimum velocity at the top of the track. Computational Tools
Format the volume to a string with two decimal places. Computational Tools
Estimate total orbital angular momentum L, simplified. Computational Tools
Convert a set to a sorted list. Computational Tools
Calculate the surface area of a cube-shaped warehouse. Computational Tools
Validate that the sum of squared Miller indices is not zero. Computational Tools
Compute the sum of squares of Miller indices. Computational Tools
Calculates the symbolic expectation E[X] of the distribution using sympy. Computational Tools
Calculates the symbolic second moment E[X^2] using sympy. Computational Tools
Calculate the initial area of the window. Computational Tools
Convert diameter (millimeter) to radius (meter). Computational Tools
Convert wire diameter to radius. Computational Tools
Calculate the length contraction due to thermal contraction. Computational Tools
Calculate the final volume after volume reduction. Computational Tools
Calculate total manufacturing overhead costs. Computational Tools
Calculate direct manufacturing costs. Computational Tools
Calculate total manufacturing costs. Computational Tools
Calculate non-manufacturing costs. Computational Tools
Calculate total costs. Computational Tools
Calculate gross profit. Computational Tools
Calculate net profit. Computational Tools
Calculate total input cost from labor, material, and overhead costs. Computational Tools
Calculate productivity ratio as output value divided by total input cost. Computational Tools
Calculate explicit costs. Computational Tools
Calculate opportunity costs. Computational Tools
Calculate accounting profit. Computational Tools
Calculate economic profit. Computational Tools
Calculate total units to account for. Computational Tools
Calculate units completed and transferred out. Computational Tools
Calculate the indirect materials cost. Computational Tools
Calculate the indirect labor cost. Computational Tools
Calculate total direct costs. Computational Tools
Calculate individual element’s contribution to total magnetic moment. Computational Tools
Calculate total materials used by summing direct and indirect materials. Computational Tools
Calculate ending inventory of raw materials. Computational Tools
Calculate the absolute error between measured value and true value. Computational Tools
Calculate the percentage error. Computational Tools
Analyze possible causes of measurement error. Computational Tools
Convert input data to a NumPy array. Computational Tools
Convert a number to scientific notation with specified significant digits. Computational Tools
Format mantissa and exponent into a scientific notation string. Computational Tools
Calculate the absolute error between measured and true values. Computational Tools
Calculate the magnitude (absolute value) of an error. Computational Tools
Calculate the relative error as a percentage. Computational Tools
Round a value to a specified number of decimal places. Computational Tools
Calculate sample variance from Sxx and sample size. Computational Tools
Format output pore volume and unit. Computational Tools
Calculate percentage change from relative change ratio. Computational Tools
Calculate the percentage error based on absolute difference and reference value. Computational Tools
Calculate the mean square (MS) from sum of squares (SS) and degrees of freedom (DF). Computational Tools
Calculate the F-value for an ANOVA test. Computational Tools
Compute the critical F value for given significance level and degrees of freedom. Computational Tools
Determine if the F value indicates significance. Computational Tools
Calculate the maximum integer value for a given bit resolution. Computational Tools
Convert normalized humidity to percentage. Computational Tools
Calculate the relative uncertainty. Computational Tools
Calculate the combined relative uncertainty using root-sum-square. Computational Tools
Calculate the relative error as a ratio. Computational Tools
Check if two arrays have the same length. Computational Tools
Print the input parameters with formatting for clarity. Computational Tools
Calculate extra space needed if storage is insufficient. Computational Tools
Convert a ratio to scientific notation with mantissa rounded to one decimal. Computational Tools
Calculate the probability density function at point(s) x. Computational Tools
Convert input to a numpy array. Computational Tools
Generate a list of integer q values from start to end inclusive. Computational Tools
Calculate the theoretical variance of a normal distribution. Computational Tools
Calculate the median of a list of numerical data. Computational Tools
Calculate the mode(s) of a list of numerical data. Computational Tools
Convert an input iterable to a set. Computational Tools
Calculate the maximum quantization error, equal to half the LSB voltage. Computational Tools
Compute the difference between light and dark signal variances. Computational Tools
Calculate the standard deviation from the variance difference. Computational Tools
Validate that interval individuals do not exceed total individuals. Computational Tools
Compute interval relative density. Computational Tools
Calculate probability that device life exceeds threshold. Computational Tools
Create mesh grids for electron density and temperature ranges. Computational Tools
Convert length from millimeters to meters. Computational Tools
Convert volume from milliliters to deciliters. Computational Tools
Convert current from milliamperes to amperes. Computational Tools
Convert length from picometers to centimeters. Computational Tools
Convert capacitance from Farads to specified units. Computational Tools
Convert weight from kilograms to tons. Computational Tools
Convert mass from kilograms to grams. Computational Tools
Convert pressure from mm mercury to atmospheres. Computational Tools
Convert volume from cubic meters to cubic feet. Computational Tools
Convert length from kilometers to meters. Computational Tools
Convert length from centimeters to meters. Computational Tools
Convert pressure from mm Hg to atm. Computational Tools
Convert mass to grams. Computational Tools
Convert volume to milliliters. Computational Tools
Convert thickness from nanometers to meters. Computational Tools
Convert film thickness to meters. Computational Tools
Convert area from square centimeters to square meters. Computational Tools
Convert cross-sectional area from mmΒ² to mΒ². Computational Tools
Convert length from millimeters to meters. Computational Tools
Convert force from kilonewtons to newtons. Computational Tools
Convert mass from kilograms to grams. Computational Tools
Convert grain size from micrometers to meters. Computational Tools
Convert length from nanometers to meters. Computational Tools
Convert energy from Joules to electron volts. Computational Tools
Convert area to square meters based on unit system. Computational Tools
Convert mass from grams to kilograms. Computational Tools
Convert volume from liters to cubic meters. Computational Tools
Convert time from minutes to seconds. Computational Tools
Convert thickness from nanometers to micrometers. Computational Tools
Convert force from picoNewtons to Newtons. Computational Tools
Convert distance to meters if input is in centimeters. Computational Tools
Convert length change from meters to millimeters. Computational Tools
Convert velocity from kilometers per hour to meters per second. Computational Tools
Convert atomic mass units to kilograms. Computational Tools
Convert volume from liters to milliliters. Computational Tools
Convert mass from grams to kilograms. Computational Tools
Convert mass from grams to pounds. Computational Tools
Convert work function to Joules. Computational Tools
Format the density unit string. Computational Tools
Convert pressure from Torr to atm. Computational Tools
Convert energy to Joules. Computational Tools
Convert dimension to meters. Computational Tools
Convert time in hours to days. Computational Tools
Convert radius from centimeters to meters if necessary. Computational Tools
Convert length from inches to centimeters. Computational Tools
Convert length from meters to centimeters. Computational Tools
Convert length from meters to millimeters. Computational Tools
Convert volume from milliliters to cubic meters. Computational Tools
Convert inductance from millihenries to henries. Computational Tools
Convert H2 production rate from mmol/cmΒ²/h to molecules/cmΒ²/s. Computational Tools
Convert length from meters to specified units. Computational Tools
Convert length to meters. Computational Tools
Convert area to square meters. Computational Tools
Convert length from meters to target units. Computational Tools
Convert work function from electron volts to joules. Computational Tools
Convert force from kilonewtons to newtons. Computational Tools
Convert volume from liters to cubic centimeters. Computational Tools
Convert thickness from millimeters to micrometers. Computational Tools
Convert elastic modulus from GPa to MPa. Computational Tools
Convert energy units based on a conversion factor. Computational Tools
Convert speed from km/h to m/s. Computational Tools
Convert thickness from kilometers to meters. Computational Tools
Convert carrier concentration from cm^-3 to m^-3. Computational Tools
Convert mobility from cm^2/(VΒ·s) to m^2/(VΒ·s). Computational Tools
Convert volume to cubic centimeters based on the input unit. Computational Tools
Convert density from g/cmΒ³ to g/mΒ³. Computational Tools
Convert volume from liters to cubic centimeters. Computational Tools
Convert length from meters to micrometers. Computational Tools
Convert gallons to liters. Computational Tools
Convert milliliters to cubic centimeters. Computational Tools
Convert microcuries ($`\mu`$Ci) to becquerel (Bq). Computational Tools
Convert maximum power from watts to kilowatts. Computational Tools
Convert energy from electron volts to joules. Computational Tools
Convert radius from meters to centimeters. Computational Tools
Convert distance from mm to m. Computational Tools
Convert pressure from kPa to Pa. Computational Tools
Convert bulk modulus from kPa to Pa. Computational Tools
Convert stress from pascal (Pa) to megapascal (MPa). Computational Tools
Convert welding speed from m/min to mm/s. Computational Tools
Convert length from centimeters to millimeters, rounded to 2 decimal places. Computational Tools
Return a dictionary of fundamental physical constants. Computational Tools
Complete structure analysis from compound name (SMILES + properties). Computational Tools
Calculate molecular weight from compound name. Computational Tools
Identify all functional groups in a molecule. Computational Tools
Calculate comprehensive molecular descriptors. Computational Tools
Check Lipinski’s Rule of Five for drug-likeness. Computational Tools
Compare two molecules for similarity using Tanimoto coefficient. Computational Tools
Generate multiple types of molecular fingerprints. Computational Tools
Analyze stereochemical properties. Computational Tools
Analyze ring systems in molecules. Computational Tools
Analyze 3D conformational properties. Computational Tools
Calculate electronic properties of molecules. Computational Tools
Calculate molecular shape descriptors. Computational Tools
Comprehensive chirality analysis. Computational Tools
Analyze bond properties in molecules. Computational Tools
Analyze heteroatom content. Computational Tools
Calculate formal charges. Computational Tools
Analyze molecular fragments. Computational Tools
Calculate topological indices. Computational Tools
Calculate molecular kappa shape indices. Computational Tools
Analyze aromatic systems. Computational Tools
Convert between molecular structure formats. Computational Tools
Convert compound name to all structure formats. Computational Tools
Resolve InChIKey to other formats. Computational Tools
Bidirectional SELFIES conversion. Computational Tools
Validate and standardize molecular structures. Computational Tools
Generate tautomers of a molecule. Computational Tools
Validate InChI and InChIKey strings. Computational Tools
Standardize molecular structures. Computational Tools
Search for substructures in molecules. Computational Tools
Calculate comprehensive protein properties. Computational Tools
Analyze protein stability indicators. Computational Tools
Perform sequence alignment analysis. Computational Tools
Find common protein motifs. Computational Tools
Predict protein solubility. Computational Tools
Analyze antibody sequence features. Computational Tools
Predict subcellular localization. Computational Tools
Analyze amino acid composition. Computational Tools
Predict protein-protein interaction potential. Computational Tools
Predict drug-target interaction. Computational Tools
Comprehensive DNA sequence analysis. Computational Tools
Translate DNA to protein. Computational Tools
Find DNA complement and reverse complement. Computational Tools
Find palindromic sequences. Computational Tools
Optimize codon usage. Computational Tools
Optimize DNA/RNA codons. Computational Tools
Design PCR primers. Computational Tools
Analyze restriction enzyme sites. Computational Tools
Analyze circular DNA. Computational Tools
Generate random DNA sequence. Computational Tools
Calculate peptide properties. Computational Tools
Design alanine scanning library. Computational Tools
Design truncation library. Computational Tools
Design overlapping peptide library. Computational Tools
Design positional scanning library. Computational Tools
Analyze protease digestion patterns. Computational Tools
Calculate degenerate codons. Computational Tools
Calculate oligonucleotide properties. Computational Tools
Convert peptide sequence to SMILES. Computational Tools
Compute binding affinity. Computational Tools
Predict ADMET properties for compounds. Computational Tools
Analyze drug-likeness properties. Computational Tools
Predict blood-brain barrier penetrance. Computational Tools
Predict oral bioavailability. Computational Tools
Convert CID to comprehensive properties. Computational Tools
Optimize molecule for drug-likeness. Computational Tools
Analyze lead compound for optimization. Computational Tools
Analyze molecular scaffold. Computational Tools
Generate random molecules. Computational Tools
Enumerate all tautomers. Computational Tools
Predict protein-ligand interactions. Computational Tools
Complete target protein profile. Computational Tools
Validate drug-target pair. Computational Tools
Calculate small molecule similarity. Computational Tools
Analyze MOF structure. Computational Tools
Calculate material density. Computational Tools
Analyze material symmetry. Computational Tools
Analyze element composition. Computational Tools
Convert MOF to SMILES. Computational Tools
Analyze MOF lattice parameters. Computational Tools
Complete material analysis. Computational Tools
Convert SMILES to CAS number. Computational Tools
Analyze small molecule-protein interaction. Computational Tools
Design peptide-based drugs. Computational Tools
Screen bioactive compounds. Computational Tools
Convert peptide to SMILES and analyze. Computational Tools
Optimize peptide for drug properties. Computational Tools
Complete compound ADMET profile. Computational Tools
Screen drug candidates. Computational Tools
Profile lead compound. Computational Tools
Score compound drug-likeness. Computational Tools
Analyze drug similarity. Computational Tools
Design drugs for protein target. Computational Tools
Design antibody-drug conjugates. Computational Tools
Analyze biologic drugs. Computational Tools
Validate target sequence for druggability. Computational Tools
Profile protein-drug interactions. Computational Tools
Analyze MOF as compound. Computational Tools
Convert material to compound format. Computational Tools
Calculate MOF properties. Computational Tools
Analyze crystal structure. Computational Tools
Analyze material for drug delivery. Computational Tools
Compute various physical and chemical parameters for a given protein sequence using Expasy ProtParam API. Computational Tools
Predict the hydrophilicity of a protein sequence. Computational Tools
This tool compute the molar extinction coefficient and protein concentration of the protein, and also provides information such as the protein isoelectric point. Computational Tools
Compute the theoretical isoelectric point (pI) and molecular weight (mW) of a protein sequence. Computational Tools
Codon Optimization Tool: Used to optimize codons for expression of recombinant genes in mainstream hosts. Computational Tools
Peptide Property Calculator: Calculate molecular weight, extinction coefficient, net peptide charge, peptide isoelectric point, and average hydrophobicity (GRAVY) of peptide properties. Computational Tools
Oligonucleotide (primer) Calculator: The annealing temperature (Tm), molecular weight (MW), extinction coefficient (OD/$`\mu`$mol, $`\mu`$g/OD) of the oligonucleotides were calculated. Computational Tools
This tool optimize the the expression of recombinant gene condons of the protein, Input: protein: protein sequence Returns: str: The Markdown content with new sequence. Computational Tools
This tool optimize the the expression of recombinant gene condons of the DNA/RNA, Input: protein: DNA or RNA sequence. Computational Tools
This tool compute the hydrophilicity of the protein, Computational Tools
This tool compute the annealing temperature of an oligonucleotide. Computational Tools
This tool translate the polypeptide sequence to SMILES. Computational Tools
This tool compute the isoelectric point of the protein or peptide. Computational Tools
This tool compute affinity based on the molar Gibbs free energy Computational Tools
This tool compute the Average molecular weight of the polypeptide. Computational Tools
This tool compute the chemical formula of the polypeptide. Computational Tools
This tool calculates the optimal degenerate codons that encode one or more input amino acids. Computational Tools
This tool design overlapping peptide library. Computational Tools
This tool design peptide library. Computational Tools
This tool design truncation peptide library. Computational Tools
This tool design positional scanning peptide library. Computational Tools
This tool can simulate the hydrolytic behavior of protein-degrading enzymes. Computational Tools
This tool label the variable regions of antibodies with CDR and FR regions; Users need to choose a numbering system, and the numbering schemes include: imgt, chothia, kabat, martin; The definition scheme includes chothia, kabat, imgt, and contact. Computational Tools
This tool number the amino acid sequence of the antibody; Identify the input sequence and distinguish between immunoglobulin (IG) and T cell receptor (TR); The numbering system includes: IMGT, Chothia, Kabat, Martin (extended version Chothia), and AHo; TR sequences can only be numbered using IMGT or AHo. Computational Tools
This tool aligns circular DNA sequences. Computational Tools
Multiple Sequence Comparison by Log Expectation is a tool used to compare protein or nucleic acid sequences. Computational Tools
This tool compares two sequences in global alignment style. Computational Tools
This tool predict the inherent disordered regions of the protein based on sequence. Computational Tools
This tool compare two sequences in local alignment style. Computational Tools
This tool analyse the motif of the protein based on sequence. Computational Tools
Sequence similarity calculation takes a set of aligned sequences (FASTA or GCG format) as input to calculate their similarity Computational Tools
The ORF search tool can help you find open reading frames in DNA sequences, and the returned results include the start and end positions of the ORF as well as the translation results of the open reading frames. Computational Tools
This tool translate DNA sequence to protein(amino acid) sequence. Computational Tools
This tool search repeat DNA sequence in DNA sequence. Computational Tools
This tool search repeat protein sequence in DNA sequence. Computational Tools
This tool searches for palindrome sequences in the sequence and enters the length range of nucleic acid sequences and palindrome sequences in the text box below. Computational Tools
This tool calculate amino acid by degenerate codon. Computational Tools
This tool predict nuclear localization sequence of protein based on sequence. Computational Tools
This tool calculate the similarity of small molecules based on SMILES. Computational Tools
This tool calculate the molecular weight of DNA based on sequence. Computational Tools
The CpG island prediction tool can predict potential CpG islands using the Gardiner Garden and Frommer (1987) method The calculation method is to use a 200bp window, with each shift of 1 bp. Computational Tools
This tool calculate the properties of PCR primer based on sequence. Computational Tools
This tool count the number of amino acids in the protein. Computational Tools
The enzyme digestion site summary tool counts the number and location of commonly used restriction endonucleating recognition sites in DNA sequences. Computational Tools
This tool generate random DNA sequence. Computational Tools
Calculates the molecular weight of a structure in a PDB file using MDAnalysis. Computational Tools
Calculates the frequency of each amino acid in a protein sequence. Computational Tools
Generates the reverse complement of a DNA sequence. Computational Tools
Calculates the hydrophobicity and polarity of a protein sequence. Computational Tools
Convert multiple MOF materials into SMILES representations and return the results in Markdown table format. Computational Tools
Reads a structure file and returns basic information about the structure. Computational Tools
Calculates the density of a structure from a file. Computational Tools
Returns the elemental composition of a structure from a file. Computational Tools
Calculates the symmetry of a structure from a file. Computational Tools
Identify and list the functional groups in a molecule given its SMILES string. Computational Tools
Calculate the molecular weight of a molecule given its SMILES string. Computational Tools
Calculate the Tanimoto similarity between two molecules given their SMILES strings. Computational Tools
Convert a SMILES string to an InChI string. Computational Tools
Convert an InChIKey string to a SMILES string. Computational Tools
Convert an InChIKey string to InChI. Computational Tools
Convert an InChI string to a MOL string. Computational Tools
Check if an InChIKey string is valid. Computational Tools
Convert an InChI string to a SMILES string. Computational Tools
Convert an InChI string to an InChIKey string. Computational Tools
Convert InChI to ChemSpider ID. Computational Tools
Translates a SMILES string into its corresponding SELFIES string. Computational Tools
Translates a SELFIES string into its corresponding SMILES string. Computational Tools
Generates a random molecule. Computational Tools
Computes the length of a SELFIES string. Computational Tools
Splits a SELFIES string into its individual tokens. Computational Tools
Generate the atom pair fingerprint of a molecule as a SparseBitVect. Computational Tools
Assign Patty types to the atoms of a molecule. Computational Tools
Perform a series of tests on a molecule, including sanitization, removal of hydrogens, and canonicalization check. Computational Tools
Generate a molecule image from its SMILES representation and embed it directly in Markdown. Computational Tools
Assigns EState types to each atom in a molecule based on its SMILES representation. Computational Tools
Calculate EState indices for each atom in a molecule based on its SMILES representation. Computational Tools
Calculate EState VSA indices for a molecule based on its SMILES representation. Computational Tools
Generate the EState fingerprint for a molecule based on its SMILES representation. Computational Tools
Calculate shape similarity scores using USRCAT for a list of molecules defined by their SMILES. Computational Tools
Calculate the normalized principal moments of inertia (NPR1 and NPR2) for a molecule. Computational Tools
Calculate the distance matrix for a list of molecules based on their fingerprints. Computational Tools
Clusters molecules based on their fingerprints and returns the clustering results in Markdown format. Computational Tools
Process the molecular fingerprint generated by FingerprintMol function. Computational Tools
Generate fingerprints for a list of SMILES strings. Computational Tools
Generate an RDKit fingerprint from a SMILES string using default parameters. Computational Tools
Generate all possible Fraggle fragmentations for a molecule represented by a SMILES string. Computational Tools
Check if the molecule represented by a SMILES string is a valid ring cut. Computational Tools
Generate an Atom Pair Fingerprint from a SMILES string and display the results in a readable format. Computational Tools
Generate a Torsions Fingerprint from a SMILES string. Computational Tools
Generate an RDKit fingerprint from a SMILES string. Computational Tools
Generate a Pharm2D fingerprint from a SMILES string. Computational Tools
Generate a Morgan fingerprint from a SMILES string. Computational Tools
Generate an Avalon fingerprint from a SMILES string. Computational Tools
Converts a SMILES string to its corresponding InChI string. Computational Tools
Generates a molecular key for a given molecule represented by a SMILES string. Computational Tools
Generates the stereo code for a given molecule represented by a SMILES string. Computational Tools
The tool is used to determine the bond orders between atoms in a molecule based on their atomic coordinates. Computational Tools
The tool is used to determine the bond orders between atoms in a molecule based on their atomic coordinates. Computational Tools
This tool is used to generate a pattern fingerprint for a molecule. Computational Tools
This tool is used to check if a molecule(target) is a substructure of another molecule(template). Computational Tools
This tool is used to get the template molecule from a TautomerQuery object. Computational Tools
This tool obtains all possible tautomers of a TautomerQuery object. Computational Tools
This tool is used to get the modified atoms of a TautomerQuery object. Computational Tools
This tool is used to get the modified bonds of a TautomerQuery object. Computational Tools
This tool is to search for substructures in a given target molecule that match the tautomer query. Computational Tools
This tool is used to check if a TautomerQuery object can be serialized. Computational Tools
This tool is used to assign CIP labels to the atoms in a molecule. Computational Tools
The rdkit. Computational Tools
The rdkit. Computational Tools
This tool finds and replaces abbreviation substance groups in a molecule, resulting in a compressed version of the molecule where the abbreviations are expanded. Computational Tools
This tool is used to convert a SLN string to a SMILES string. Computational Tools
This tool is used to create a shingling for a molecule. Computational Tools
This tool creates an MHFP vector from a molecule using MHFP encoder, capturing structural information of the molecule. Computational Tools
This tool creates an SECFP vector from a molecule using SECFP encoder, capturing structural information of the molecule. Computational Tools
This tool computes the 2D BCUT descriptors for a given molecule, representing mass, Gasteiger charge, Crippen logP, and Crippen MR values. Computational Tools
This tool computes the 2D autocorrelation descriptors for a given molecule, capturing the spatial arrangement of atoms in the molecule. Computational Tools
This tool computes the 3D autocorrelation descriptors for a given molecule, capturing the spatial arrangement of atoms in the molecule. Computational Tools
This tool calculates the asphericity descriptor for a molecule, which measures how much the molecule deviates from a perfectly spherical shape. Computational Tools
This tool calculates the chi^0 (chi-zero) cluster index, which represents a topological descriptor related to molecular branching. Computational Tools
This function calculates the Chi^0v (Chi-zero-v) valence molecular graph index for a molecule, which is used to describe the topology of the molecule. Computational Tools
This tool calculates the chi^1 (chi-one) cluster index, which represents a topological descriptor related to molecular branching. Computational Tools
This function calculates the Chi^1v (Chi-one-v) valence molecular graph index for a molecule, which is used to describe the topology of the molecule. Computational Tools
This tool calculates the chi^2 (chi-two) cluster index, which represents a topological descriptor related to molecular branching. Computational Tools
This function calculates the Chi^2v (Chi-two-v) valence molecular graph index for a molecule, which is used to describe the topology of the molecule. Computational Tools
This tool calculates the chi^3 (chi-three) cluster index, which represents a topological descriptor related to molecular branching. Computational Tools
This function calculates the Chi^3v (Chi-three-v) valence molecular graph index for a molecule, which is used to describe the topology of the molecule. Computational Tools
This tool calculates the chi^4 (chi-four) cluster index, which represents a topological descriptor related to molecular branching. Computational Tools
This function calculates the Chi^4v (Chi-four-v) valence molecular graph index for a molecule, which is used to describe the topology of the molecule. Computational Tools
This tool calculates the Coulomb matrix for a molecule, which represents the electrostatic interactions between atoms in the molecule. Computational Tools
This function calculates the Wildman-Crippen logP and MR (molecular refractivity) values for a given molecule in RDKit. Computational Tools
This function computes the EEM (Electronegativity Equalization Method) atomic partial charges for a given molecule using its atomic properties. Computational Tools
This function calculates the eccentricity of a molecule, which is a measure of its shape. Computational Tools
This function calculates the exact molecular weight of a molecule, which is the sum of the atomic weights of all atoms in the molecule. Computational Tools
This function calculates the fraction of sp3-hybridized carbon atoms in a molecule, which is a measure of its shape. Computational Tools
This function calculates the GETAWAY descriptors for a molecule, which capture the shape and size of the molecule. Computational Tools
This function calculates the Hall-Kier alpha index for a molecule, which is a measure of its shape. Computational Tools
This function calculates the Inertial Shape Factor of a molecule, which is a measure of its shape. Computational Tools
This function computes the Kappa1 ($`K1`$) value of a molecule, which is a topological descriptor representing its shape complexity or branching degree. Computational Tools
This function computes the Kappa2 ($`K2`$) value of a molecule, which is a topological descriptor representing its shape complexity or branching degree. Computational Tools
This function computes the Kappa3 ($`K3`$) value of a molecule, which is a topological descriptor representing its shape complexity or branching degree. Computational Tools
This function calculates the Labute accessible surface area (ASA) value for a molecule, which is a measure of the solvent-accessible surface area of the molecule. Computational Tools
This function calculates the molecular formula of a molecule, which is a string representing the number and type of atoms in the molecule. Computational Tools
This tool calculates the Molecule Representation of Structures based on Electron diffraction (MORSE) descriptors for a given molecule. Computational Tools
This function calculates the NPR1 (Normalized Principal Moments Ratio) descriptor for a molecule, which serves as a descriptor for the distribution of charges within the molecule. Computational Tools
This function calculates the NPR2 (Normalized Principal Moments Ratio) descriptor for a molecule, which serves as a descriptor for the distribution of charges within the molecule. Computational Tools
This function calculates the number of aliphatic carbocycles in a molecule. Computational Tools
This function calculates the number of aliphatic heterocycles in a molecule. Computational Tools
This tool calculates the number of aliphatic rings in a molecule. Computational Tools
This function calculates the number of amide bonds in a molecule. Computational Tools
This function calculates the number of aromatic carbocycles in a molecule. Computational Tools
This function calculates the number of aromatic heterocycles in a molecule. Computational Tools
This tool calculates the number of aromatic rings in a molecule. Computational Tools
This function calculates the number of atom stereo centers in a molecule. Computational Tools
This function calculates the number of atoms in a molecule. Computational Tools
This function calculates the number of bridgehead atoms in a molecule. Computational Tools
This function calculates the number of hydrogen bond acceptors (HBA) in a molecule. Computational Tools
This function calculates the number of hydrogen bond donors (HBD) in a molecule. Computational Tools
This tool calculates the number of heavy atoms in a molecule. Computational Tools
This tool calculates the number of heteroatoms in a molecule. Computational Tools
This tool calculates the number of heterocycles in a molecule. Computational Tools
This tool calculates the number of Lipinski hydrogen bond acceptors (HBA) in a molecule, which is a measure used in drug-likeness evaluation according to Lipinski’s rule of five. Computational Tools
This tool calculates the number of Lipinski hydrogen bond donors (HBD) in a molecule, which is a measure used in drug-likeness evaluation according to Lipinski’s rule of five. Computational Tools
This tool calculates the number of rings in a molecule. Computational Tools
This tool calculates the number of rotatable bonds in a molecule. Computational Tools
This function calculates the number of saturated carbocycles in a molecule. Computational Tools
This function calculates the number of saturated heterocycles in a molecule. Computational Tools
This tool calculates the number of saturated rings in a molecule. Computational Tools
This function calculates the number of spiro atoms in a molecule. Computational Tools
This tool calculates the number of unspecified atomic stereocenters in a molecule. Computational Tools
Generate RDKfingerprints for the SMILES strings in a CSV file and save to a new CSV file. Computational Tools
Generate morgan fingerprints for the SMILES strings in a CSV file and save to a new CSV file. Computational Tools
Generate electrical RDKit descriptors for the SMILES strings in a CSV file and save to a new CSV file. Computational Tools
General MLP classifier function that predicts based on processed feature files. Computational Tools
General AdaBoost classifier function that predicts based on processed feature files. Computational Tools
General Random Forest classifier function that predicts based on processed feature files. Computational Tools
Adds the oxidation number/state to the atoms of a molecule as property OxidationNumber on each atom. Computational Tools
This tool calculates the PBF (plane of best fit) descriptor for a given molecule. Computational Tools
This tool calculates the first principal moment of inertia (PMI1) for a given molecule. Computational Tools
This tool is designed to compute the PMI2 (Partial Molecular Information 2) value of a molecule, which serves as a descriptor indicating the shape and structure of the molecule. Computational Tools
This tool is designed to compute the PMI3 (Partial Molecular Information 3) value of a molecule, which serves as a descriptor characterizing the shape and structure of the molecule. Computational Tools
This tool calculates the Phi ($`\Phi`$) angle of a molecule, which is a torsional angle describing the rotation about a single bond. Computational Tools
This tool calculates the RDF (Radial Distribution Function) descriptor for a given molecule. Computational Tools
This tool is designed to compute the radius of gyration for a given molecule, providing insights into its overall shape and compactness. Computational Tools
This function calculates the sphericity index for a given molecule. Computational Tools
This tool calculates the TPSA (Topological Polar Surface Area) descriptor for a given molecule, which is a measure of the accessible polar surface area in a molecule. Computational Tools
This tool calculates the WHIM (Weighted Holistic Invariant Molecular) descriptor for a given molecule. Computational Tools
This function computes a custom property for a given molecule using the Van der Waals Surface Area (VSA) method, based on user-defined parameters. Computational Tools
This function computes a set of atom features for a given molecule, including atomic number, valence, and hybridization. Computational Tools
This function computes the atom pair for a given molecule. Computational Tools
This tool computes connectivity invariants, similar to ECFP (Extended Connectivity Fingerprints), for a given molecule. Computational Tools
This tool computes feature invariants, similar to FCFP (Feature Centroid Fingerprints), for a given molecule. Computational Tools
This function computes atom pair code (hash) for each atom in a molecular. Computational Tools
This function computes the hybridization of each atom in a molecule. Computational Tools
This function computes the ring systems of a molecule. Computational Tools
This function computes the Molecular ACCess System keys fingerprint for a given molecule. Computational Tools
This tool computes the Morgan fingerprint for a given molecule. Computational Tools
This tool computes the topological torsion fingerprint for a given molecule. Computational Tools
The tool computes the USR (Ultrafast Shape Recognition) descriptor for a given conformer of a molecule and returns it as a list. Computational Tools
This function is designed to compute the USRCAT (Ultrafast Shape Recognition with Coordinate Asymmetric Torsions) descriptor for a specified conformer of a molecule. Computational Tools
This function is used to add hydrogen atoms to the molecular graph of a molecule. Computational Tools
This tool adds wavy bonds around double bonds with STEREOANY stereochemistry. Computational Tools
This tool sets chiral tags for atoms of the molecular based on the molParity property. Computational Tools
This tool is used to assign radical counts to atoms within a molecule. Computational Tools
This tool is used for assigning Cahn–Ingold–Prelog (CIP) stereochemistry to atoms (R/S) and double bonds (Z/E) within a molecule. Computational Tools
This tool is used to obtain the adjacency matrix of a molecule. Computational Tools
This tool is used to determine whether recognition of non-tetrahedral chirality from 3D structures is enabled or not. Computational Tools
The tool computes the topological distance matrix for a given molecule. Computational Tools
This tool is utilized to determine the total formal charge of a given molecule. Computational Tools
This tool is utilized to determine the formal charge of each atom in a given molecule. Computational Tools
This tool identifies disconnected fragments within a molecule and returns them as atom identifiers or molecules. Computational Tools
This tool is used to determine whether the legacy stereo perception code is being used. Computational Tools
This tool is used to convert a molecule that represents haptic bonds using a dummy atom with a dative bond to a metal atom into a molecule with explicit dative bonds from the atoms of the haptic group to the metal atom. Computational Tools
This tool is used to check if a molecule contains query H (hydrogen) atoms. Computational Tools
This tool is used to perform Kekulization on a molecule. Computational Tools
This tool is used to merge hydrogen atoms into their neighboring atoms as query atoms. Computational Tools
This tool is used to perform a Murcko decomposition on a molecule and return the scaffold. Computational Tools
This tool is used to remove hydrogen atoms from a molecule’s graph. Computational Tools
This tool is used to remove all stereochemistry information from a molecule. Computational Tools
This tool is used to perform aromaticity perception on a molecule, which means determining the aromaticity of atoms and bonds in the molecule. Computational Tools
This tool is used to set the cis/trans stereochemistry on double bonds based on the directions of neighboring bonds. Computational Tools
This tool is used to check if a molecule(target) is a substructure of another molecule(template). Computational Tools
Generate pre-signed URLs for uploading and downloading Alibaba Cloud OSS objects Computational Tools
Query UniProt for protein information. Databases
Query InterPro for protein domain information. Databases
Download PDB structure file. Databases
Download NCBI sequence file. Databases
Download AlphaFold structure file. Databases
Retrieve and download the protein sequence (. Databases
Retrieve SMILES strings from PubChem using compound names. Databases
Search UniProt ID by gene name. Databases
Download predicted protein structures from the AlphaFold database. Databases
Retrieve the details of a single bioactivity entry from the ChEMBL database by its unique activity ID. Databases
Retrieves a list of bioactivity entries from the ChEMBL database. Databases
Performs a full-text search for bioactivity data in the ChEMBL database using a query string. Databases
Retrieves a default list of supplementary bioactivity data from the ChEMBL database. Databases
Retrieve single activitysupplementarydatabyactivity object details by ID. Databases
Retrieve multiple activitysupplementarydatabyactivity objects by IDs. Databases
Retrieves the details for a single assay (experimental procedure) from the ChEMBL database using its name. Databases
Retrieves detailed information for multiple assays from the ChEMBL database using a list of their names. Databases
Performs a full-text search for assays (experimental procedures) in the ChEMBL database using a query string. Databases
Retrieves a default list of assay classifications from the ChEMBL database. Databases
Retrieves the details for a single ATC (Anatomical Therapeutic Chemical) classification from the ChEMBL database using the level 5 ATC code. Databases
Retrieves the details for multiple ATC (Anatomical Therapeutic Chemical) classifications from the ChEMBL database using a list of their level 5 ATC codes. Databases
Retrieves the details for a single binding site from the ChEMBL database using its unique integer ID. Databases
Retrieves detailed information for multiple binding sites from the ChEMBL database using a list of their unique integer IDs. Databases
Retrieves the details for a single biotherapeutic from the ChEMBL database using its name. Databases
Retrieves detailed information for multiple biotherapeutics from the ChEMBL database using a list of their names. Databases
Retrieves the details for a single cell line from the ChEMBL database using its unique integer ID. Databases
Retrieves detailed information for multiple cell lines from the ChEMBL database using a list of their unique integer IDs. Databases
Retrieve compound structural alert object list. Databases
Retrieve compound structural alert object details by ID. Databases
Retrieve multiple compound structural alert objects by IDs. Databases
Retrieve single drug object details by name. Databases
Retrieve multiple drug objects by names. Databases
Retrieve drug indication object details by ID Databases
Retrieve multiple drug indication objects by IDs. Databases
Retrieve single drug_warning object details by ID Databases
Retrieve multiple drug_warning objects by IDs. Databases
Retrieves the details for a single GO (Gene Ontology) slim classification from the ChEMBL database using its unique GO ID. Databases
Retrieves the details for multiple GO (Gene Ontology) slim classifications from the ChEMBL database using a list of their unique GO IDs. Databases
Retrieves the details for a single drug mechanism of action from the ChEMBL database using its unique integer ID. Databases
Retrieves detailed information for multiple drug mechanisms of action from the ChEMBL database using a list of their unique integer IDs. Databases
Retrieve single metabolism object details by ID. Databases
Retrieves detailed information for multiple drug metabolism records from the ChEMBL database using a list of their unique integer IDs. Databases
Retrieves the details for a single molecule from the ChEMBL database using its name. Databases
Retrieves detailed information for multiple molecules from the ChEMBL database using a list of their names. Databases
Retrieves a default list of molecule forms from the ChEMBL database. Databases
Retrieves molecule form information for a given molecule from the ChEMBL database using its name. Databases
Retrieves molecule form information for multiple molecules from the ChEMBL database using a list of their names. Databases
Retrieves the details for a single organism from the ChEMBL database using its unique integer ID. Databases
Retrieves detailed information for multiple organisms from the ChEMBL database using a list of their unique integer IDs. Databases
Retrieves the details for a single protein classification from the ChEMBL database using its unique integer ID. Databases
Retrieves detailed information for multiple protein classifications from the ChEMBL database using a list of their unique integer IDs. Databases
Search protein_classification object by query string. Databases
Retrieve similarity details for compounds based on SMILES. Databases
Retrieve single source object details by ID. Databases
Retrieve multiple source object details by IDs. Databases
Retrieve substructure matches using SMILES. Databases
Retrieve single target object details by name. Databases
Retrieve multiple target objects by names Databases
Search target using query string. Databases
Retrieve target_component object list Databases
Retrieve single target_relation object details by related target name Databases
Retrieve multiple target_relation objects by related target names Databases
Retrieve single tissue object details by ID. Databases
Retrieve multiple tissue object details by IDs. Databases
Get compound chembl id by name. Databases
Get target chembl id by name. Databases
Get assay chembl id by name. Databases
This operation displays the database release information with statistics for the databases. Databases
KEGG find - Data search. Databases
This operation can be used to obtain a list of all entries in each database. Databases
This operation retrieves given database entries in a flat file format or in other formats with options. Databases
This operation can be used to convert entry identifiers (accession numbers) of outside databases to KEGG identifiers, and vice versa. Databases
KEGG link - find related entries by using database cross-references. Databases
Maps common protein names, synonyms and UniProt identifiers into STRING identifiers Databases
Retrieve STRING interaction network for one or multiple proteins in various text formats. Databases
This method provides the interactions between your provided set of proteins and all the other STRING proteins. Databases
STRING internally uses the Smith-Waterman bit scores as a proxy for protein homology. Databases
Retrieve the similarity from your input protein(s) to the best (most) similar protein from each STRING species. Databases
STRING maps several databases onto its proteins, this includes: Gene Ontology, KEGG pathways, UniProt Keywords, PubMed publications, Pfam domains, InterPro domains, and SMART domains. Databases
STRING maps several databases onto its proteins, this includes: Gene Ontology, KEGG pathways, UniProt Keywords, PubMed publications, Pfam domains, InterPro domains, and SMART domains. Databases
Get protein-protein interaction enrichment for list of genes denoted by their STRING identifiers Databases
Providing Information of variants of human proteins, and whether these variants are benign, mutual or harmful. Databases
Database containing gene, gene set and collection of gene sets information. Databases
A database containing the relationship between mouse gene sets and diseases. Databases
Ensemble is a database containing the relationship between human genes and chr locations. Databases
Search PubChem for compounds matching a chemical name. Databases
Search PubChem for compounds matching a SMILES string. Databases
Get detailed compound information by PubChem CID. Databases
Perform an advanced search on PubChem using a complex query. Databases
Get substance information by PubChem SID. Databases
Get compound information by PubChem CID. Databases
Get compound information by chemical name. Databases
Get substance information by name. Databases
Retrieve a specific chemical property for a compound by its name from PubChem. Databases
Retrieve all known synonyms for a given compound by its chemical name from PubChem. Databases
Get detailed description information for a PubChem substance given its SID. Databases
Retrieve detailed description information for a PubChem compound given its CID. Databases
Get detailed description of a compound by name, including overall information, drug and medication information, pharmacology and biochemistry information. Databases
Retrieve detailed description information for a PubChem bioassay given its AID. Databases
Retrieve a summary of bioassay activities for a given PubChem compound CID. Databases
Retrieve a summary of bioassay activities for a given PubChem substance SID. Databases
Get summary information for a gene by Gene ID. Databases
Retrieve summary information for a protein from PubChem by its UniProt or other accession number. Databases
Retrieve summary information for a biological taxonomy entry given its NCBI Taxonomy ID. Databases
Retrieve available conformer identifiers for a given PubChem compound CID. Databases
Retrieve compound objects from PubChem based on a given SMILES string. Databases
Retrieve compound objects from PubChem based on a molecular formula. Databases
Get the molecular formula of a compound. Databases
Get the molecular weight of a compound. Databases
Get the isomeric SMILES of a compound. Databases
Get the XLogP value of a compound. Databases
Get the IUPAC name of a compound. Databases
Get the synonyms of a compound. Databases
Obtain the CID corresponding to the drug smiles Databases
Get a list of CIDs by molecular formula. Databases
Get a list of SIDs by name. Databases
Get a Substance object by SID using PubChemPy. Databases
Get a list of Substance objects by name using PubChemPy. Databases
Get the source ID (Unique identifier assigned to the compound or substance by the original database (e. Databases
Get the synonyms (Different names or identifiers for the same chemical substance) of a substance by SID. Databases
Get a dictionary of a compound’s properties. Databases
Get a list of compound objects with 3D structures. Databases
Get a dictionary representation of a compound by CID. Databases
Get CAS Registry Numbers for compounds containing a specified substructure. Databases
Get a gene summary by gene symbol. Databases
Get gene information by gene IDs. Databases
Get gene information by accession. Databases
Get dataset reports by accession IDs Databases
Get gene product reports by accession IDs Databases
Get gene download summary by GeneID Databases
Get gene links by gene ID Databases
Get gene dataset reports by locus tag Databases
Get gene product reports by locus tags Databases
Get dataset reports by taxons Databases
Get product reports by taxon Databases
Get gene dataset reports by taxonomic identifier Databases
Get gene product reports by taxonomic identifier Databases
Get gene information by dataset report Databases
Get genome annotation reports by genome accession. Databases
Get genome annotation report summary information. Databases
Get revision history for assembly by accession Databases
Get sequence reports by accessions Databases
Check the validity of genome accessions Databases
Get dataset reports by accessions Databases
Get a genome dataset by accession Databases
Preview genome dataset download Databases
Get assembly links by accessions Databases
Get dataset reports by assembly name Databases
Get dataset reports by bioproject Databases
Get dataset reports by biosample id Databases
Get assembly accessions for a sequence accession Databases
Get dataset reports by taxons Databases
Get dataset reports by wgs accession Databases
Get virus annotation report by accessions. Databases
Check virus accessions validity Databases
Get virus dataset report by accessions Databases
Get virus annotation report by taxon Databases
Get virus genome by taxon Databases
Get virus genome table by taxon Databases
Get related taxonomy IDs Databases
Get taxonomy links Databases
Get taxonomy information. Databases
Get taxonomy dataset report. Databases
Get filtered taxonomy subtree Databases
Get taxonomy name report Databases
Get taxonomy suggestions Databases
Get biosample report. Databases
Get organelle dataset report. Databases
Get organelle dataset report by taxon. Databases
Get gene product report by gene ID Databases
Get gene orthologs by gene ID Databases
Get gene information by taxon Databases
Get gene counts by taxon Databases
Get chromosome summary by taxon and annotation name Databases
Get genome information by accession Databases
Get a prokaryote gene dataset by RefSeq protein accession Databases
Get general information of a protein or gene by name from UniProt database. Databases
Get the human protein sequence by protein name. Databases
Search UniProtKB by protein entry accession to return all data associated with that entry. Databases
Stream all UniProtKB entries associated with the search term in a single download. Databases
Search UniProtKB entries using a query, returns paginated list. Databases
Search UniRef entry by id to return all data associated with that entry. Databases
Search UniRef entry by member id to return all data associated with that entry. Databases
Search light UniRef entry by id to return all data associated with that entry. Databases
Stream all UniRef clusters associated with the search term in a single download. Databases
Search UniRef clusters using a query, returns paginated list. Databases
Search UniParc entry by id (UPI) to return all data associated with that entry. Databases
Search UniParc entry by id (UPI) to return all data associated with that entry (light version). Databases
Get a page of database cross-reference entries by a UPI. Databases
Stream database cross-reference entries for a specified UniParc UPI. Databases
Stream all UniParc entries associated with the specified search term in a single download. Databases
Search UniParc entries using a query, returns paginated list. Databases
Retrieve a GeneCentric entry by UniProtKB accession. Databases
Search GeneCentric entry by Proteome ID to return all data associated with that entry. Databases
Stream GeneCentric entries matching a query (max 10M entries). Databases
Search GeneCentric entries with pagination. Databases
Retrieve a proteome by UniProt Proteome ID. Databases
Stream Proteome entries matching a query (max 10M entries). Databases
Search Proteome entries with pagination. Databases
Analyze the tissue-specific expression pattern of a given gene across different cancer types using the Firebrowse API (TCGA mRNASeq). Databases
Look up Ensembl gene information by external gene symbol. Databases
Find evolutionary homologs (orthologs and paralogs) for a gene identified by symbol. Databases
Retrieve genomic DNA sequence for a specific chromosomal region. Databases
Predict the functional effects of variants using Variant Effect Predictor (VEP) with HGVS notation. Databases
Retrieve a phylogenetic gene tree by its Ensembl stable identifier. Databases
Retrieve genome assembly information for a species. Databases
Get cross references for a gene symbol. Databases
Get the latest version of an Ensembl stable identifier. Databases
Get the latest version for multiple Ensembl stable identifiers. Databases
Retrieve a CAFE (Computational Analysis of gene Family Evolution) gene tree by ID. Databases
Retrieve a CAFE gene tree for a gene identified by symbol. Databases
Retrieve the gene tree containing a gene identified by its Ensembl ID. Databases
Get gene tree by symbol. Databases
Retrieve genomic alignments between species for a specific region. Databases
Find evolutionary homologs (orthologs and paralogs) for a gene identified by Ensembl ID. Databases
Get cross references by ID. Databases
Get cross references by name. Databases
List the analyses and data processing pipelines used for a species genome. Databases
Retrieve detailed information about a specific genomic region or chromosome. Databases
Retrieve the catalog of gene and transcript biotypes for a species. Databases
Get external databases for a species. Databases
Map cDNA coordinates to genomic coordinates. Databases
Map protein coordinates to genomic coordinates. Databases
Get ontology ancestors. Databases
Get ontology descendants. Databases
Get ontology by ID. Databases
Get ontology by name. Databases
Get features overlapping a region defined by an identifier. Databases
Get features overlapping a genomic region. Databases
Get features overlapping a translation. Databases
Retrieve phenotype associations for variants in a genomic region. Databases
Retrieve phenotype associations for a specific gene. Databases
Retrieve genomic features associated with a specific phenotype ontology term. Databases
Retrieve sequence associated with an Ensembl identifier. Databases
Predict the functional effects of variants using Variant Effect Predictor (VEP) with variant identifier. Databases
Predict the functional effects of variants using Variant Effect Predictor (VEP) with genomic coordinates. Databases
Retrieve detailed information about a genetic variant by its identifier. Databases
Find information about a given genome. Databases
Find information about genomes containing a specified INSDC accession. Databases
Find information about a genome with a specified assembly. Databases
Find information about all genomes in a given division. Databases
Find information about all genomes beneath a given node of the taxonomy. Databases
List all variation data sources used for a species in Ensembl. Databases
Lists all variant consequence types used by Ensembl. Databases
List all variation populations for a species, or list all individuals in a specific population. Databases
Look up details for any Ensembl stable identifier. Databases
Look up details for multiple Ensembl stable identifiers in a single request. Databases
Look up multiple gene symbols in a single request. Databases
Reconstruct the entire ancestry of a term from is_a and part_of relationships. Databases
Return the taxonomic classification of a taxon node. Databases
Search for a taxonomic term by its identifier or name Databases
Search for a taxonomic id by a non-scientific name. Databases
Return the specified binding matrix Databases
Request multiple types of sequence by a stable identifier list. Databases
Get sequences by multiple regions. Databases
Batch predict the functional effects of multiple variants using VEP with variant identifiers. Databases
Get variant effect predictions by multiple regions. Databases
Translate a list of variant identifiers, HGVS notations or genomic SPDI notations to all possible variant IDs, HGVS and genomic SPDI Databases
Fetch variants by publication using PubMed Central reference number (PMCID) Databases
Fetch variants by publication using PubMed reference number (PMID) Databases
Uses a list of variant identifiers (e. Databases
Get Beacon information. Databases
Query Beacon. Databases
Query Beacon with POST. Databases
Get GA4GH features by ID. Databases
Get a list of sequence annotation features in GA4GH format Databases
Search GA4GH callsets. Databases
Get the GA4GH record for a specific CallSet given its identifier Databases
Get a list of datasets in GA4GH format Databases
Get the GA4GH record for a specific dataset given its identifier Databases
Search GA4GH feature sets. Databases
Return the GA4GH record for a specific featureSet given its identifier Databases
Get GA4GH variant by ID. Databases
Return variant annotation information in GA4GH format for a region on a reference sequence Databases
Return variant call information in GA4GH format for a region on a reference sequence Databases
Search GA4GH variant sets. Databases
Return the GA4GH record for a specific VariantSet given its identifier Databases
Return a list of reference sequences in GA4GH format Databases
Return data for a specific reference in GA4GH format by id Databases
Search GA4GH reference sets. Databases
Search data for a specific reference set in GA4GH format by ID Databases
Return a list of annotation sets in GA4GH format Databases
Return meta data for a specific annotation set in GA4GH format by ID Databases
Retrieve the gene tree containing a gene identified by its Ensembl ID. Databases
With :group argument provided, list the properties of biotypes within that group. Databases
List the properties of biotypes with a given name. Databases
List all collections of species analysed with the specified compara method. Databases
Get all available comparative genomics databases and their data release. Databases
Get all supported genome assemblies from UCSC Genome Browser. Databases
List all tracks for a specific genome assembly. Databases
List all tracks in a specific track hub for a genome. Databases
List all chromosomes for a genome assembly. Databases
Get list of all public UCSC track hubs. Databases
Get sequence for an entire chromosome. Databases
Get DNA sequence for a genomic region. Databases
Get cytoband (chromosome banding) information for a specified genome and chromosome. Databases
Fetch a list of active ingredients in a specific drug product. Databases
Retrieve dosage and storage information for a specific drug. Databases
Retrieve drug names based on information about types of abuse and adverse reactions pertinent to those types of abuse. Databases
Retrieve information about types of abuse based on the drug name. Databases
Retrieve drug names based on the accessories field information. Databases
Retrieve information about accessories based on the drug name. Databases
Retrieve drug names based on the active ingredient information. Databases
Retrieve detailed information about a drug’s active ingredient, FDA application number, manufacturer name, National Drug Code (NDC) number, and route of administration; all based on the drug name. Databases
Retrieve drug names based on the specified FDA application number, manufacturer name, or National Drug Code (NDC) number. Databases
Retrieve the drug name based on specific adverse reactions reported. Databases
Retrieve adverse reactions information based on the drug name. Databases
Retrieve drug names based on the presence of specific alarms, which are related to adverse reaction events. Databases
Retrieve alarms based on the specified drug name. Databases
Retrieve drug names based on animal pharmacology and toxicology information. Databases
Retrieve animal pharmacology and toxicology information based on drug names. Databases
Retrieve the drug names that require asking a doctor before use due to a patient’s specific conditions and symptoms. Databases
Get information about when a doctor should be consulted before using a specific drug. Databases
Retrieve drug names based on information about when a doctor or pharmacist should be consulted regarding drug interactions. Databases
Get information about when a doctor or pharmacist should be consulted regarding drug interactions for a specific drug. Databases
Retrieve drug names based on assembly or installation instructions. Databases
Retrieve assembly or installation instructions based on drug names. Databases
Retrieve drug names that have specific boxed warnings (The most serious risk alerts in drug labeling) and adverse effects. Databases
Retrieve boxed warning (The most serious risk alerts in drug labeling) and adverse effects information for a specific drug. Databases
Retrieve the drug name based on the calibration instructions provided. Databases
Retrieve calibration instructions based on the specified drug name. Databases
Retrieve drug names based on the presence of carcinogenic, mutagenic, or fertility impairment information. Databases
Retrieve carcinogenic, mutagenic, or fertility impairment information based on the drug name. Databases
Retrieves the drug name based on various identifiers such as the FDA application number, NUI, SPL document ID, or SPL set ID. Databases
Retrieves drug names based on a search query within their clinical pharmacology information. Databases
Retrieves clinical pharmacology information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their clinical studies information. Databases
Retrieves clinical studies information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their contraindications information. Databases
Retrieve contraindications information based on the drug name. Databases
Retrieves drug names based on a search query within their DEA controlled substance schedule information. Databases
Retrieves information about the controlled substance DEA (Drug Enforcement Administration) schedule for a specific drug. Databases
Retrieve the drug name based on information about dependence characteristics. Databases
Retrieves information about dependence characteristics for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their disposal and waste handling information. Databases
Retrieves disposal and waste handling information for a specific drug from the FDA database by its name. Databases
Retrieve the drug name based on dosage and administration information. Databases
Retrieves drug names based on a search query within their dosage forms and strengths information. Databases
Retrieves dosage forms and strengths information for a specific drug from the FDA database by its name. Databases
Retrieves the drug name based on information about drug abuse and dependence, including whether the drug is a controlled substance, the types of possible abuse, and adverse reactions relevant to those abuse types. Databases
Retrieves information about drug abuse and dependence for a specific drug from the FDA database by its name, including controlled substance status, abuse types, and related adverse reactions. Databases
Retrieves drug names based on a search query within their laboratory test interference information. Databases
Retrieves information about laboratory test interferences for a specific drug. Databases
Retrieves a list of drug names that have known interactions with a specified term. Databases
Retrieve drug interactions based on the specified drug name. Databases
Retrieve drug names based on the effective time of the labeling document. Databases
Retrieve effective time of the labeling document based on the drug name. Databases
Retrieve the drug name based on the specified environmental warnings. Databases
Fetch environmental warnings for a specific drug based on its name. Databases
Retrieve drug names based on specific food safety warnings. Databases
Retrieve drug names based on specific general precautions information. Databases
Retrieve general precautions information based on the drug name. Databases
Retrieve drug names that have specific information about geriatric use. Databases
Retrieve information about geriatric use based on the drug name. Databases
Fetch information about dear health care provider letters for a specific drug. Databases
Fetch drug names based on information about dear health care provider letters. Databases
Retrieve drug names based on specific health claims. Databases
Retrieve health claims associated with a specific drug name. Databases
Retrieve the drug name based on the document ID. Databases
Retrieve the document ID based on the drug name. Databases
Retrieve the drug name based on the inactive ingredient information. Databases
Fetch a list of inactive ingredients in a specific drug product based on the drug name. Databases
Retrieve a list of drug names based on a specific indication or usage. Databases
Retrieve indications and usage information based on a specific drug name. Databases
Retrieve drug names based on information for owners or caregivers. Databases
Retrieves information for owners or caregivers for a specific drug. Databases
Retrieves patient information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their instructions for use. Databases
Retrieves instructions for use information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within the intended use of their associated medical device. Databases
Retrieves the intended use of the device associated with a specific drug. Databases
Retrieves drug names based on a search query within their child safety information. Databases
Retrieves child safety information for a specific drug based on its name. Databases
Retrieve the drug name based on information about the drug’s use during labor or delivery. Databases
Retrieves information about the drug’s use during labor or delivery based on the drug name. Databases
Retrieves drug names based on a search query within their laboratory tests information. Databases
Retrieves laboratory tests information for a specific drug from the FDA database by its name. Databases
Retrieves the mechanism of action information for a specific drug. Databases
Retrieves drug names based on a search query within their mechanism of action information. Databases
Retrieve the drug name based on microbiology field information. Databases
Retrieves microbiology information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their nonclinical toxicology information. Databases
Retrieves nonclinical toxicology information for a specific drug from the FDA database by its name. Databases
Retrieve drug names based on the presence of nonteratogenic effects information. Databases
Retrieves information about nonteratogenic effects for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their information for nursing mothers. Databases
Retrieves information about nursing mothers for a specific drug. Databases
Retrieves drug names based on a search query within their ’other safety information’ section. Databases
Retrieves other safety information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their overdosage information. Databases
Retrieves information about signs, symptoms, and laboratory findings of acute overdosage based on the drug name. Databases
Retrieve the drug name based on the content of the principal display panel of the product package. Databases
Retrieve the content of the principal display panel of the product package based on the drug name. Databases
Retrieve drug names based on patient medication information, which is about safe use of the drug. Databases
Retrieve patient medication information (which is about safe use of the drug) based on drug names. Databases
Retrieve drug names based on pediatric use information. Databases
Retrieve pediatric use information based on drug names. Databases
Retrieve the drug name based on pharmacodynamics information. Databases
Retrieve pharmacodynamics information based on the drug name. Databases
Retrieve pharmacogenomics information based on the drug name. Databases
Retrieve drug names based on specific pharmacokinetics information, such as absorption, distribution, elimination, metabolism, drug interactions, and specific patient populations. Databases
Retrieve pharmacokinetics information (e. Databases
Retrieve the drug name based on the precautions field information. Databases
Retrieve precautions information based on the drug name. Databases
Retrieves drug names based on a search query within their pregnancy effects information. Databases
Retrieves information about the effects on pregnancy for a specific drug. Databases
Retrieve the drug names based on pregnancy or breastfeeding information. Databases
Retrieves pregnancy or breastfeeding information for a specific drug. Databases
Retrieves information on who to contact with questions about the drug based on the provided drug name. Databases
Retrieves recent major changes in labeling for a specific drug. Databases
Retrieves the drug name based on the reference information provided in the drug labeling. Databases
Retrieves reference information for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their residue warning information. Databases
Retrieves the residue warning for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their risk information, especially regarding pregnancy or breastfeeding. Databases
Retrieves risk information (especially regarding pregnancy or breastfeeding) for a specific drug from the FDA database by its name. Databases
Retrieves drug names based on a search query within their route of administration. Databases
Retrieve the route of administration information based on the drug name. Databases
Retrieves drug names based on a search query within their safe handling warning information. Databases
Retrieves safe handling warnings for a specific drug from the FDA database by its name. Databases
Retrieve the drug name based on the Set ID of the labeling. Databases
Retrieve drug names based on Structured Product Labeling (SPL) indexing data elements. Databases
Retrieve Structured Product Labeling (SPL) indexing data elements based on drug names. Databases
Retrieve drug names based on the presence of specific information in the medication guide. Databases
Retrieve medication guide information based on the drug name. Databases
Retrieve the drug name based on the information provided in the patient package insert. Databases
Retrieve the patient package insert information based on the drug name. Databases
Retrieve drug names based on a specific ingredient present in the drug product. Databases
Retrieve a list of drug ingredients based on the drug name. Databases
Retrieve the SPL unclassified section information (Content not yet clearly categorized) based on the drug name. Databases
Retrieve the drug name based on the stop use information provided. Databases
Retrieve stop use information based on the drug name provided. Databases
Retrieve the drug name based on storage and handling information. Databases
Retrieve storage and handling information based on the drug name. Databases
Retrieve drug names based on the summary of safety and effectiveness information. Databases
Retrieve a summary of safety and effectiveness information based on the drug name. Databases
Retrieve drug names based on specific teratogenic effects categories. Databases
Retrieve teratogenic effects information based on the drug name. Databases
Retrieve drug names based on their use in specific populations, such as pregnant women, nursing mothers, pediatric patients, and geriatric patients. Databases
Retrieve information about the use of a drug in specific populations based on the drug name. Databases
Retrieve specific user safety warnings based on drug names. Databases
Retrieve drug names that have specific user safety warnings. Databases
Retrieve the drug names based on specific warning information. Databases
Retrieve warning information based on the drug name. Databases
Retrieve warnings and cautions information for a specific drug based on its name. Databases
Retrieve drug names based on specific warnings and cautions information. Databases
Retrieve information about side effects and substances or activities to avoid while using a specific drug. Databases
Retrieve the brand name and generic name from generic name or brand name of a drug. Databases
Retrieve information about all contraindications for use based on the drug name. Databases
Retrieve about the drug product’s indications for use based on the drug name. Databases
Get the drug’s generic name based on the drug’s generic or brand name. Databases
Find targets associated with a specific disease or phenotype based on efoId. Databases
Find diseases or phenotypes associated with a specific target using ensemblId. Databases
Explore evidence that supports a specific target-disease association. Databases
Retrieve warnings for a specific drug using ChEMBL ID. Databases
Retrieve the mechanisms of action associated with a specific drug using chemblId. Databases
Retrieve known drugs associated with a specific disease by disease efoId. Databases
Retrieve similar entities for a given disease efoId using a model trained with PubMed. Databases
Retrieve similar entities for a given target ensemblID using a model trained with PubMed. Databases
Find HPO phenotypes associated with the specified disease efoId. Databases
Find withdrawn and black-box warning statuses for a specific drug by chemblId. Databases
Get the count of entries in each entity category (disease, target, drug) based on a query string. Databases
Retrieve the efoId and additional details of a disease based on its name. Databases
Fetch the drug chemblId and description based on the drug name. Databases
Fetch indications (treatable phenotypes/diseases) for a given drug chemblId. Databases
Retrieve Gene Ontology annotations for a specific target by Ensembl ID. Databases
Fetch homologues for a specific target by Ensembl ID. Databases
Retrieve known target safety liabilities for a specific target Ensembl ID. Databases
Retrieve biological mouse models, including allelic compositions and genetic backgrounds, for a specific target. Databases
Retrieve genomic location data for a specific target, including chromosome, start, end, and strand. Databases
Retrieve information about subcellular locations for a specific target Ensembl ID. Databases
Retrieve synonyms for a specified target, including alternative names and symbols, using the given Ensembl ID. Databases
Retrieve tractability assessments, including modality and values, for a specific target Ensembl ID. Databases
Retrieve the target classes associated with a specific target Ensembl ID. Databases
Retrieve the Target Enabling Packages (TEP) associated with a specific target Ensembl ID. Databases
Retrieve interaction data for a specific target Ensembl ID, including interaction partners and evidence. Databases
Retrieve the disease ancestors and parents in the ontology using the disease EFO ID. Databases
Retrieve the disease descendants and children in the ontology using the disease EFO ID. Databases
Retrieve the disease’s direct location and indirect location disease terms and IDs using the disease EFO ID. Databases
Retrieve disease synonyms by its EFO ID. Databases
Retrieve disease description, name, database cross-references, obsolete terms, and whether it’s a therapeutic area, all using the specified EFO ID. Databases
Retrieve the therapeutic areas associated with a specific disease EFO ID. Databases
Retrieve significant adverse events reported for a specific drug ChEMBL ID. Databases
Get a list of known drugs and associated information using the specified ChEMBL ID. Databases
Get parent and child molecules of specified drug ChEMBL ID. Databases
Retrieve detailed information about multiple drugs using a list of ChEMBL IDs. Databases
Get drug name, year of first approval, type, cross references, and max clinical trial phase based on specified chemblId. Databases
Retrieve the synonyms associated with a specific drug ChEMBL ID. Databases
Retrieve the trade names associated with a specific drug ChEMBL ID. Databases
Retrieve the approval status of a specific drug ChEMBL ID. Databases
Retrieve chemical probes associated with a specific target using its Ensembl ID. Databases
Retrieve pharmacogenomics data for a specific drug, including evidence levels and genotype annotations. Databases
Get known drugs associated with a specific target Ensembl ID, including clinical trial phase and mechanism of action of the drugs. Databases
Retrieve the list of diseases associated with a specific drug ChEMBL ID based on clinical trial data or post-marketed drugs. Databases
Retrieve the list of targets linked to a specific drug ChEMBL ID based on its mechanism of action. Databases
Perform a multi-entity search based on a query string, filtering by entity names and pagination settings. Databases
Retrieve Gene Ontology terms based on a list of GO IDs. Databases
Retrieve genetic constraint information for a specific target Ensembl ID, including expected and observed values, and scores. Databases
Retrieve publications related to a target Ensembl ID, including PubMed IDs and publication dates. Databases
Retrieve publications related to a drug ChEMBL ID, including PubMed IDs and publication dates. Databases
Get the Ensembl ID and description based on the target name. Databases
Get disease EFO ID and description by disease name from OpenTargets. Databases
Get target Ensembl ID by target name. Databases
Get disease EFO ID by disease name. Databases
Find drug ChEMBL ID by drug name. Databases
Find targets associated with a specific disease or phenotype based on its name. Databases
Find diseases or phenotypes associated with a specific target. Databases
Explore evidence that supports a specific target-disease association. Databases
Retrieve warnings for a specific drug. Databases
Retrieve the mechanisms of action associated with a specific drug. Databases
Retrieve known drugs associated with a specific disease by disease name. Databases
Retrieve similar entities for a given disease using a model trained with PubMed. Databases
Retrieve similar entities for a given target using a model trained with PubMed. Databases
Find HPO phenotypes asosciated with the specified disease. Databases
Fetch indications (treatable phenotypes/diseases) for a given drug. Databases
Retrieve Gene Ontology annotations for a specific target. Databases
Fetch homologues for a specific target. Databases
Retrieve known target safety liabilities for a specific target. Databases
Retrieve biological mouse models, including allelic compositions and genetic backgrounds, for a specific target. Databases
Retrieve genomic location data for a specific target, including chromosome, start, end, and strand. Databases
Retrieve information about subcellular locations for a specific target. Databases
Retrieve synonyms for specified target, including alternative names and symbols. Databases
Retrieve tractability assessments, including modality and values. Databases
Retrieve the target classes associated with a specific target. Databases
Retrieve the Target Enabling Packages (TEP) associated with a specific target. Databases
Retrieve interaction data for a specific target, including interaction partners and evidence. Databases
Retrieve the ancestors and parents of a specific disease. Databases
Retrieve the descendants and children of a specific disease. Databases
Retrieve the locations of a specific disease. Databases
Retrieve synonyms for a specific disease. Databases
Retrieve the description of a specific disease. Databases
Retrieve the therapeutic areas associated with a specific disease. Databases
Retrieve chemical probes associated with a specific target. Databases
Get known drugs associated with a specific target, including clinical trial phase and mechanism of action of the drugs. Databases
Retrieve the list of diseases associated with a specific drug based on clinical trial data or post-marketed drugs. Databases
Retrieve the list of targets linked to a specific drug based on its mechanism of action. Databases
Retrieve genetic constraint information for a specific target, including expected and observed values, and scores. Databases
Retrieve diseases associated with a list of phenotypes or symptoms by a list of HPO IDs. Databases
Retrieve a phenotype or symptom by its HPO ID. Databases
Retrieve one or more HPO ID of a phenotype or symptom. Databases
Analyze protein sequence using InterProScan to identify functional domains, families, and GO terms. Databases
Search for similar protein sequences in UniProt Swiss-Prot database using BLAST. Databases
Retrieve the coefficient for the specified material. Databases
Get the magnetic moment value for an element. Databases
Lookup CAS number for a compound. Databases
Complete PubChem compound information. Databases
Search for similar compounds. Databases
Retrieve compound properties from PubChem. Databases
Resolve compound name to all identifiers. Databases
Analyze protein from UniProt. Databases
Get structure information. Databases
Get material price from compound. Databases
Fetches average price for multiple chemical substances identified by their CAS numbers. Databases
Query a SMILES and return their CAS numbers in string. Databases
Obtain lattice structure information from the provided MOF cif file name. Databases
Query a molecule name and return its SMILES string in Markdown format. Databases
Query a molecule name and return its CAS number in Markdown format. Databases
Search literature. Literature Search
Run the search engine with a given query, retrieving and filtering results. Literature Search
Run the search engine with a given query, retrieving and filtering results. Literature Search
Search PubMed for academic articles and retrieve abstracts. Literature Search
Retrieve publications related to a disease EFO ID, including PubMed IDs and publication dates. Literature Search
Retrieve publications related to a disease name, including PubMed IDs and publication dates. Literature Search
Retrieve publications related to a target, including PubMed IDs and publication dates. Literature Search
Retrieve publications related to a drug, including PubMed IDs and publication dates. Literature Search
Predict zero-shot sequence. Model Services
Predict zero-shot structure. Model Services
Predict protein properties. Model Services
Use the ESMFold model for protein 3D structure prediction. Model Services
Predict the ADMET properties of a molecule. Model Services
Given a protein sequence and its structure, employ the ProSST model to predict mutation effects and obtain the top-k mutated sequences based on their scores. Model Services
Retrieve similar entities for a given drug chemblId using a model trained with PubMed. Model Services
Retrieve similar entities for a given drug using a model trained with PubMed. Model Services
From compound name to ADMET prediction. Model Services
Predicts the solubility of a given protein sequence using a fine-tuned BioT5 model for the protein solubility prediction task. Model Services
Given a molecule SELFIES, generates its English description using a pre-trained T5 model. Model Services
Given a molecule description in English, generates its SELFIES and SMILES representation using a pre-trained T5 model. Model Services
Predicts whether a given molecule (SELFIES format) and a protein sequence can interact with each other and returns the result in Markdown format with a brief explanation. Model Services
Predicts whether two given protein sequences can interact with each other using a fine-tuned BioT5 model for the protein-protein interaction task with human dataset. Model Services
Predicts whether two given yeast protein sequences can interact with each other using a fine-tuned BioT5 model for the protein-protein interaction task with yeast dataset. Model Services
Predicts the solubility of a given protein sequence using a fine-tuned BioT5 model for the protein solubility prediction task. Model Services
Predicts the binary localization of a given protein sequence using a fine-tuned BioT5 model for the protein binary localization prediction task. Model Services
Manually adjust storage condition for a container. Wet-lab Operations
Apply acceleration (spin) to a container. Wet-lab Operations
Incubate a container at a location for a duration. Wet-lab Operations
Seal a container. Wet-lab Operations
Place a lid on a container. Wet-lab Operations
Perform washing of a target. Wet-lab Operations
Dry an item by a method. Wet-lab Operations
Close an item (e. Wet-lab Operations
Filter a sample through a filter type. Wet-lab Operations
Record data of a specified type. Wet-lab Operations
Let an item stand for some duration. Wet-lab Operations
Thaw materials at a specific temperature. Wet-lab Operations
Aspirate liquid from a source. Wet-lab Operations
Thermocycle a container with groups of steps. Wet-lab Operations
Wait for a specified duration. Wet-lab Operations
Heat a target to a temperature for a duration. Wet-lab Operations
Vortex an item. Wet-lab Operations
Separate phases/components from a target. Wet-lab Operations
Lyse a sample using a method and optional buffer. Wet-lab Operations
Add a component to a target container. Wet-lab Operations
Inoculate medium with inoculum. Wet-lab Operations
Inactivate a target using specified method and parameters. Wet-lab Operations
Anneal material at a temperature for a duration with optional cycles. Wet-lab Operations
Transfer material from source to destination. Wet-lab Operations
Resuspend a material/pellet in buffer. Wet-lab Operations
Mix components in a target container. Wet-lab Operations
Extract target material from a sample. Wet-lab Operations
Grind material with specified method and parameters. Wet-lab Operations
Prepare reagents or mixtures. Wet-lab Operations
Freeze an item at given temperature. Wet-lab Operations
Perform pipetting from source to destination. Wet-lab Operations
Perform extension (e. Wet-lab Operations)
Invert a container repeatedly to mix. Wet-lab Operations
Place an item at a location. Wet-lab Operations
Fill a container with a substance. Wet-lab Operations
Tap or flick a container to mix or settle. Wet-lab Operations
Centrifuge a container at a speed for a duration. Wet-lab Operations
Pellet material by specified method (e. Wet-lab Operations)
Aliquot a source into destination containers. Wet-lab Operations
Eliminate a target (e. Wet-lab Operations)
Measure a parameter on a sample. Wet-lab Operations
Balance items for equipment (e. Wet-lab Operations)
Shake a target container. Wet-lab Operations
Decant liquid from source to destination. Wet-lab Operations
Purify a sample using a method/kit. Wet-lab Operations
Perform sequencing run with specified parameters. Wet-lab Operations
Digest a sample with an enzyme under specified conditions. Wet-lab Operations
Elute material from a sample using a buffer. Wet-lab Operations
Stain a target with an agent. Wet-lab Operations
Discard items or materials safely. Wet-lab Operations
Dilute a sample by a factor. Wet-lab Operations
Dissolve material in a solvent under specified conditions. Wet-lab Operations
Abstract instruction to run an agarose gel and acquire an image using an appropriate DNA stain and imaging system. Wet-lab Operations
Generation experiment protocol given user prompt. Wet-lab Operations
Execute JSON with PCR operation server Params: json (str): executable JSON server_url (str): PCR operation server URL; default to Thoth-OP server URL Returns: exec_info (str): execution information Arg: arguments (dict) - Tool parameter dictionary Wet-lab Operations

The current list of all available SCP tools.


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A Note of Gratitude

The copyright of this content belongs to the respective researchers. We deeply appreciate their hard work and contribution to the advancement of human civilization.

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