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SwissADME Pricing & Plans

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SwissADME Features

  • icon_check SMILES Input Processing Converts Simplified Molecular Input Line Entry System strings into molecular structures for standardized computation tasks.
  • icon_check Marvin JS Sketcher Integrates a 2D chemical structure editor to draw, edit, and import molecules directly into the platform’s input system.
  • icon_check Batch Molecule Submission Allows the simultaneous processing of up to 200 chemical structures per session for high-throughput screening efficiency.
  • icon_check Aromatic Atom Count Identifies the number of atoms participating in aromatic ring systems to evaluate structural stability and reactivity.
  • icon_check Rotatable Bond Analysis Quantifies molecular flexibility by counting single bonds not in a ring, bound to non-terminal heavy atoms in the structure.
  • icon_check H-Bond Acceptor Count Measures the total number of nitrogen and oxygen atoms available to accept hydrogen bonds during molecular interactions.
  • icon_check TPSA Measurement Calculates the Topological Polar Surface Area to predict the drug's ability to permeate through various cell membranes.
  • icon_check XLOGP3 Algorithm Provides atomistic log P values using a knowledge-based approach with corrective factors for accurate partition coefficients.
  • icon_check ESOL Solubility Model Estimates water solubility using a validated topological method to categorize compounds from insoluble to very soluble.
  • icon_check Gastrointestinal Absorption Predicts the probability of passive human gastrointestinal absorption based on physicochemical and polarity descriptors.
  • icon_check BBB Permeation Model Evaluates the potential for small molecules to cross the blood-brain barrier via passive diffusion for CNS-related studies.
  • icon_check CYP450 Inhibition Profiling Assesses potential interactions with five major cytochrome P450 isoforms to predict metabolic stability and drug safety.
  • icon_check PAINS Alert System Identifies Pan-Assay Interference Compounds to filter out molecules that might yield false positive results in assays.

SwissADME Specifications

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Swiss Institute of Bioinformatics Company Details

Brand Name Swiss Institute of Bioinformatics
Information The SIB Swiss Institute of Bioinformatics is an internationally recognized non-profit organization dedicated to biological and biomedical data science.
Founded Year 1998
Director/Founders Swiss Institute of Bioinformatics
Company Size 101-500 Employees

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