Table 18 Win/loss counts for ten random folds for extended similarites on DuD set ( α =0 . 3; approach B2)
From: Improving structural similarity based virtual screening using background knowledge
ECFP ext | MCS ext | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
1% | 5% | 10% | 1% | 5% | 10% | |||||||
Win | Loss | Win | Loss | Win | Loss | Win | Loss | Win | Loss | Win | Loss | |
HMGR | 10 | 0 | 9 | 1 | 9 | 1 | 5 | 0 | 5 | 0 | 5 | 0 |
ER | 8 | 2 | 9 | 1 | 7 | 3 | 10 | 0 | 9 | 1 | 7 | 3 |
PPAR γ | 10 | 0 | 9 | 1 | 9 | 1 | 6 | 4 | 10 | 0 | 8 | 2 |
P38 MAP | 9 | 1 | 10 | 0 | 9 | 1 | 9 | 1 | 9 | 1 | 10 | 0 |
TK | 7 | 3 | 9 | 1 | 9 | 1 | 9 | 1 | 6 | 4 | 7 | 3 |
FXa | 10 | 0 | 7 | 3 | 8 | 2 | 9 | 1 | 8 | 2 | 8 | 2 |
ADA | 10 | 0 | 6 | 4 | 9 | 1 | 6 | 3 | 8 | 1 | 6 | 3 |
DHFR | 7 | 3 | 10 | 0 | 10 | 0 | 10 | 0 | 10 | 0 | 10 | 0 |
ACHE | 8 | 2 | 9 | 1 | 9 | 1 | 8 | 2 | 10 | 0 | 9 | 1 |
COX-2 | 8 | 2 | 9 | 1 | 7 | 3 | 7 | 3 | 8 | 2 | 8 | 2 |
Sum | 87 | 13 | 87 | 13 | 86 | 14 | 79 | 15 | 83 | 11 | 78 | 16 |