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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


ice

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


vae

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