Table III.
Results from Using Limited Number of Compounds for Training and Validation
| Threshold Used for Acceptance as an Active Compound (nth) | For Validation (100 Active and 3000 Non-active Compounds) | For Testing (1147 Active and 38000 Non-active Compounds) | ||||
|---|---|---|---|---|---|---|
| Actual No. of Active Compounds Found (NA) | Actual No. of Non-active Compounds Found (NN) | RA/N =NA/NN | Actual No. of Active Compounds Found (NA) | Actual No. of Non-active Compounds Found (NN) | RA/N =NA/NN | |
| 1 | 46 | 575 | 0.0800 | 587 | 6809 | 0.0862 |
| 2 | 38 | 317 | 0.1198 | 447 | 3966 | 0.1127 |
| 3 | 32 | 162 | 0.1975 | 336 | 2283 | 0.1471 |
| 4 | 26 | 81 | 0.3209 | 229 | 1236 | 0.1853 |
| 5 | 15 | 33 | 0.4545 | 144 | 610 | 0.2360 |
| 6 | 4 | 6 | 0.6667 | 75 | 208 | 0.3605 |
| 7 | 0 | 0 | - | 13 | 24 | 0.5416 |
| 8 | 0 | 0 | - | 1 | 1 | 1.0000 |
| 9 | 0 | 0 | - | 0 | 0 | - |
| 10 | 0 | 0 | - | 0 | 0 | - |