A PubChemPy-inspired PUG REST client with throttle-aware retry, caching, BioAssay/gene/protein/Tox21 data, live cross-references into ChEMBL, BindingDB and the PDB, and a local parquet mirror for bulk CID lookups.
gene toxicology cheminformatics pdb protein drug-discovery pubchem bioassay tox21 pug-rest identifier-resolution
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Updated
Sep 9, 2026 - Python