chembl-database
ChEMBL Database
ChEMBL is the European Bioinformatics Institute's repository of bioactive compound data, containing over 2 million compounds, 19 million bioactivity measurements, and 13,000+ drug targets.
Use Cases
- Find potent inhibitors for a protein target
- Search for compounds similar to a known drug
- Retrieve drug mechanism of action data
- Filter compounds by molecular properties (Lipinski, etc.)
- Export bioactivity data for ML or analysis
Installation
uv pip install chembl_webresource_client
Basic Usage
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