Table 2 Statistics of the data sets for the different targets
From: Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Target | Training Compounds | Screening Compounds | Ligands | Decoys |
|---|---|---|---|---|
Thrombin | 88 | 1172 | 24 | 1148 |
Factor Xa | 290 | 2156 | 64 | 2092 |
PDGFRβ | 79 | 5727 | 124 | 5603 |