Table 1 Average enrichment factors obtained in a retrospective virtual screen of the DUD-E database (no pooling)
From: USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
Method | Enrichment Factors | ||
|---|---|---|---|
1.0% | 0.5% | 0.25% | |
USR | 5.00 | 6.71 | 8.84 |
ElectroShape | 8.40 | 11.27 | 14.48 |
USRCAT | 8.62 | 11.99 | 15.64 |
Circular FP | 32.14 | 42.54 | 49.72 |
Path FP | 24.50 | 35.14 | 44.27 |
Tree FP | 19.28 | 28.98 | 38.59 |
MACCS166 | 20.90 | 28.85 | 36.60 |