Table 2 The numbers describing both curated AZ inhouse and ChEMBL datasets along with the output of NA analysis
From: Nonadditivity in public and inhouse data: implications for drug design
| Â | AZ | ChEMBL |
|---|---|---|
Nof | ||
 Measurements | 5,801,969 | 3,625,044 |
 Cpds measured more than once (%) | 85.8% | 5.1% |
 Curated assays | 6277 | 13,620 |
 Unique cpds | 1,232,555 | 799,860 |
 Assays with NA | 4030 | 7534 |
 Assays with significant NA | 3628 (57.8%) | 4128 (30.3%) |
 Assays with NA* | 3081 (49%) | – |
 Assays with strong NA# | 1509 (24%) | 1237 (9.1%) |
 Unique cpds showing significant NA* | 114,862 (9.4%) | 40,798 (5.1%) |
 Unique cpds showing strong NA# | 5767 (0.5%) | 8572 (1.1%) |
Median nof | ||
 Unique cpds per assay | 233 | 35 |
 Unique cpds per assay with NA output | 490 | 39 |
 DTC per assay with NA output | 63 | 13 |
 Unique cpds per assay with significant NA* | 562.5 | 43 |
 DTC per assay with significant NA* | 88.5 | 23 |
 Unique cpds per assay with NA* | 662 | – |
 DTC per assay with NA* | 133 | – |
 Unique cpds per assay with strong NA# | 1093 | 52 |
 DTC per assay with strong NA# | 423 | 43 |