From: Improving structural similarity based virtual screening using background knowledge
DuD set | ECFP ext | MCS ext | ||||
---|---|---|---|---|---|---|
1% | 5% | 10% | 1% | 5% | 10% | |
HMGR | 0.2 | 0.5 | 0.9 | 0.3 | 0.7 | 0.8 |
ER | 0.1 | 0.3 | 0.2 | 0.6 | 0.6 | 0.5 |
PPAR γ | 0.1 | 0.4 | 0.0 | 0.0 | 0.4 | 0.0 |
P38 MAP | 0.3 | 0.5 | 1.0 | 0.7 | 0.8 | 1.0 |
TK | 0.0 | 0.1 | 0.3 | 0.3 | 1.0 | 0.2 |
Fxa | 0.0 | 0.3 | 0.2 | 0.2 | 0.7 | 0.6 |
ADA | 0.3 | 1.0 | 1.0 | 0.3 | 1.0 | 1.0 |
DHFR | 0.1 | 0.3 | 0.5 | 0.4 | 1.0 | 0.6 |
AchE | 0.2 | 0.3 | 0.1 | 0.2 | 0.3 | 0.4 |
COX-2 | 0.1 | 0.2 | 0.2 | 0.1 | 1.0 | 0.6 |