Hit discovery (DMTA replay) on DUD-E
87.6Hit RateNESTDRUG
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| NESTDRUGTarget=FXA, Rounds=732026.04 | 87.6 | 1.66 | 89 | |
| NESTDRUGTarget=HDAC2, Rounds=412026.04 | 82.7 | 1.62 | 98 | |
| NESTDRUGTarget=JAK2, Rounds=382026.04 | 78.9 | 1.66 | 112 | |
| NESTDRUGTarget=EGFR, Rounds=1412026.04 | 76.1 | 1.54 | 159 | |
| NESTDRUGTarget=Mean, Rounds=—2026.04 | 73.4 | 1.6 | 142 | |
| NESTDRUGTarget=DRD2, Rounds=892026.04 | 71.8 | 1.71 | 134 | |
| NESTDRUGTarget=ESR1, Rounds=522026.04 | 69.2 | 1.54 | 151 | |
| NESTDRUGTarget=BACE1, Rounds=672026.04 | 62.4 | 1.63 | 189 | |
| NESTDRUGTarget=PPARG, Rounds=452026.04 | 58.1 | 1.47 | 205 | |
| RandomTarget=FXA, Rounds=732026.04 | 52.8 | — | 142 | |
| RandomTarget=HDAC2, Rounds=412026.04 | 51.2 | — | 156 | |
| RandomTarget=EGFR, Rounds=1412026.04 | 49.4 | — | 225 | |
| RandomTarget=JAK2, Rounds=382026.04 | 47.6 | — | 178 | |
| RandomTarget=Mean, Rounds=—2026.04 | 45.7 | — | 209 | |
| RandomTarget=ESR1, Rounds=522026.04 | 44.8 | — | 213 | |
| RandomTarget=DRD2, Rounds=892026.04 | 42.1 | — | 198 | |
| RandomTarget=PPARG, Rounds=452026.04 | 39.4 | — | 289 | |
| RandomTarget=BACE1, Rounds=672026.04 | 38.2 | — | 267 |