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Dictionary of molecular entities from products of nature or synthetic products used to intervene in the processes of living organisms, incorporating an ontological classification

750M purchasable compounds with searchable analogs, 230M purchasable compounds in ready-to-dock, 3D formats

49k chemicals categorized by usage or function in 16k consumer products (e.g. shampoo, soap)

43,000 chemicals categorized to product usage or function compiled from publically available sources


Curated in vivo and in vitro test data, in silico toxicity predictions, chemical property data, and reference chemical lists

Manually curated database of bioactive molecules with drug-like properties

Compilation of tox endpoints for 700k records over >25k chemicals


Variational autoencoder for molecules

Adverse events, drug product labeling, and recall enforcement reports from FDA

EPA data on 1,800 chemicals across 700+ assay endpoints