Drugbank Database

This gives you programmatic access to DrugBank's pharmaceutical database with about 9,600 drug entries and 200+ data fields per drug. You can query drug properties, analyze drug-drug interactions for polypharmacy safety checks, map targets and pathways for mechanism studies, and run chemical similarity searches using RDKit fingerprints. It's built around the drugbank-downloader Python package and walks through XML parsing, interaction network analysis, and ADMET predictions. Honestly most useful if you're already doing computational drug discovery or pharmacology research and need structured access to this specific dataset. You'll need a free DrugBank account, and the documentation is thorough about version pinning for reproducibility.