2 JSON dicts that list the connectivity features (key) ECFP4 (including the ECFP2) as detected by the GetMorganFingerprint function of the RDkit program. One files encompass all the 556,187 ECFP4 of t
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4822 (TID: 12252), and it has 2998 rows and
Chemical compound data from PubChem database. IUPAC Name: 7-propylhexadecane. Molecular Formula: C19H40. Molecular Weight: 268.5. This dataset contains comprehensive...
