Table 1 Description of ChEMBL assays selected for QSAR models
From: Nonadditivity in public and inhouse data: implications for drug design
ChEMBL assay ID | # Cpds | # Cpds with significant NA (%) | # DTC | # unique cpds in DTC | # DTC with significant NA (%) | ChEMBL Version (access date) |
|---|---|---|---|---|---|---|
1613777 | 3497 | 153 (4.38) | 4333 | 1261 | 867 (20.01) | 26 (06/20/2020) |
1613797 | 6219 | 64 (1.03) | 4523 | 701 | 694 (15.34) | 27 (08/26/2020) |
1614027 | 2876 | 76 (2.64) | 4086 | 941 | 486 (11.89) | 27 (08/26/2020) |