Table 1.
The table shows the enrichment factors, BEDROC value and RIE of the different methods applied in virtual screening
| 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 |