drugbank-database-access
DrugBank Database — Local XML Access
Overview
Query the DrugBank comprehensive drug database (14,000+ drug entries, 5,000+ protein targets, 17,000+ drug interactions) by parsing the locally downloaded XML file with Python's ElementTree. Covers drug lookups, interaction checking, target/pathway extraction, chemical property analysis, and cross-database identifier mapping.
When to Use
- Looking up drug information (description, indication, mechanism, pharmacology) by DrugBank ID, name, or CAS number
- Checking drug-drug interactions and severity classifications for polypharmacy safety
- Extracting drug targets, enzymes, transporters, and carriers with UniProt accessions
- Retrieving chemical properties (SMILES, InChI, molecular weight) for cheminformatics analysis
- Mapping DrugBank entries to external databases (PubChem, ChEMBL, UniProt, KEGG)
- Building drug similarity matrices from molecular fingerprints
- For live bioactivity data (IC50, Ki, EC50) use
chembl-database-bioactivityinstead - For compound property lookups without downloading a database use
pubchem-compound-searchinstead
Prerequisites
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