Table 1 The table shows the enrichment factors, BEDROC value and RIE of the different methods applied in virtual screening
From: Enhanced ranking of PknB Inhibitors using data fusion methods
Method | EF (1%) | EF (2%) | EF (5%) | EF (10%) | BEDROC (α=20) | RIE |
|---|---|---|---|---|---|---|
E-pharmacophore I(5 sites) | 12 | 11 | 10.51 | 6.8 | 0.538 | 7.81 |
E-pharmacophore II(7 sites) | 30 | 30 | 13 | 6.8 | 0.729 | 10.6 |
E-pharmacophore III(5 sites) | 30 | 27 | 13 | 6.5 | 0.706 | 10.26 |
ROCS | 30 | 27 | 13.14 | 7.42 | 0.749 | 10.89 |
Glide XP | 27 | 21 | 11.42 | 6.28 | 0.629 | 9.14 |
Sum score | 30 | 29 | 14.85 | 7.42 | 0.785 | 11.42 |
Sum rank | 30 | 24 | 12 | 7.42 | 0.703 | 10.21 |
Reciprocal rank | 30 | 30 | 17.14 | 8.85 | 0.875 | 12.73 |