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 | 102 | 8 | 110 | 0 | 110 | 0 | 48 | 7 | 51 | 4 | 55 | 0 |
ER | 70 | 40 | 98 | 12 | 99 | 11 | 97 | 13 | 109 | 1 | 103 | 7 |
PPAR γ | 93 | 17 | 78 | 32 | 86 | 24 | 94 | 16 | 90 | 20 | 77 | 33 |
P38 MAP | 102 | 8 | 104 | 6 | 104 | 6 | 103 | 7 | 105 | 5 | 100 | 10 |
TK | 96 | 14 | 99 | 11 | 92 | 18 | 96 | 14 | 97 | 13 | 99 | 11 |
FXa | 101 | 9 | 100 | 10 | 94 | 16 | 104 | 6 | 100 | 10 | 100 | 10 |
ADA | 91 | 19 | 89 | 21 | 109 | 1 | 81 | 18 | 96 | 3 | 84 | 15 |
DHFR | 74 | 36 | 110 | 0 | 110 | 0 | 104 | 6 | 110 | 0 | 110 | 0 |
ACHE | 93 | 17 | 100 | 10 | 101 | 9 | 96 | 14 | 105 | 5 | 101 | 9 |
COX-2 | 57 | 53 | 60 | 50 | 90 | 20 | 78 | 32 | 86 | 24 | 100 | 10 |
Sum | 879 | 221 | 948 | 152 | 995 | 105 | 901 | 133 | 949 | 85 | 929 | 105 |