ChemistryAtlas Dataset

PCBA

Bioactivity and drug discoveryPubChembioassaylarge scale
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PubChem BioAssay subset curated by MoleculeNet for multi-task bioactivity prediction.

Category: Bioactivity and drug discovery.

Citation: Wu et al., Chem Sci 2018.

TypeDataset
DomainBioactivity and drug discovery
LicensePublic domain / PubChem terms
ContributorsPubChem BioAssay; MoleculeNet