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The ChEMBL database in 2017
The ChEMBL database is a large collection of bioactive compounds and their biological activities. -
Bioactivity dataset
Bioactivity dataset containing over 30 million entries, used for developing a pre-trained model for transfer learning. -
Biolip: a semi-manually curated database for biologically relevant ligand-pro...
The Biolip database contains a large collection of biologically relevant ligand-protein interactions. -
Chembl: a large-scale bioactivity database for drug discovery
The Chembl database contains a large collection of bioactive molecules and their interactions with proteins.
