Table 3.
The average and standard deviation of Tc for different NDL and APL compound subsets, compared to the PMLSC screening collection. The Tanimoto coefficients are calculated by Database Comparison program that is based on UNITY fingerprint.
| Natural Derivatives Library | Active Probes Library | ||||
|---|---|---|---|---|---|
| Subset | Size | Mean/Stdev Tanimoto |
Subset | Size | Mean/Stdev Tanimoto |
| NDLA | 3000 | 0.8593±0.11 | APLA | 2000 | 0.8134±0.15 |
| NDLB | 1648 | 0.8211±0.11 | APLB | 1500 | 0.7636±0.13 |
| NDLC | 1000 | 0.8071±0.11 | APLC | 1096 | 0.7460±0.13 |
| NDLD | 500 | 0.7851±0.12 | APLD | 500 | 0.7004±0.13 |