Table 1. . Analog series-based scaffold statistics.
| Database | PDP | ChEMBL |
|---|---|---|
| ASB scaffolds (n) | 1939 | 22,094 |
| ASs coverage (%) | 95.9 | 92.3 |
| Unique ASB scaffolds (n) | 23,791 | |
| ASBs with MT annotations (%) | 40.2 | |
| Targets covered (n) | 1473 | |
| Shared ASB scaffolds (n) | 242 | |
| ASBs with MT annotations (%) | 78.9 | |
| Targets covered (n) | 531 | |
The table reports statistics for ASB scaffolds generated from ASs of compounds from PDP and ChEMBL (version 23). The total number of ASB scaffolds and the percentage of ASs yielding ASB scaffolds (% ASs coverage) are provided. In addition, the number of unique and shared ASB scaffolds is given. Furthermore, the percentage of combined ASB scaffolds with MT annotations and total number of corresponding targets is given.
AS: Analog series; ASB: Analog series-based; MT: Multitarget; PDP: Probes & Drugs Portal.