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ChEMBL API - Sample Source Code

The service from the European Bioinformatics Institute (EBI) provides programmatic access to a database of biologically active small molecules with drug-like effects. Data available include 2-D structure diagrams, calculated properties, and indicators of biological activities. API methods support retrieval of lists of chemical compounds based on inputs in various formats, from the local database ID to standard chemistry designations. The API can also retrieve components or substructures and similar compounds for a submitted identifier. Methods can return bioactivity measures as part of descriptive data.