From: Improving structural similarity based virtual screening using background knowledge
DuD set | Bind_fp | ||
---|---|---|---|
1% | 5% | 10% | |
HMGA | 6.7 ± 1.5 ∙° | 1.1 ± 0.0 ∙° | 0.6 ± 0.0 ∙° |
ER | 62.3 ± 15.2 | 8.7 ± 4.1° | 2.7 ± 1.6 ∙° |
PPAR γ | 13.2 ± 30.1 | 2.4 ± 6.1 | 1.2 ± 3.0° |
P38 MAP | 24.2 ± 22.2 | 4.8 ± 4.3° | 2.4 ± 2.1 ∙° |
TK | 42.8 ± 24.3 | 0.9 ± 1.5 ∙° | 0.0 ± 0.0 ∙° |
Fxa | 21.2 ± 26.9 | 3.8 ± 5.5° | 1.8 ± 2.7° |
ADA | 26.1 ± 0.0 | 1.7 ± 0.0 ∙° | 0.5 ± 0.1 ∙° |
DHFR | 0.0 ± 0.0 ∙° | 0.0 ± 0.0 ∙° | 0.0 ± 0.0 ∙° |
AchE | 47.4 ± 34.8 | 7.7 ± 6.0° | 3.8 ± 3.0 ∙° |
COX-2 | 71.6 ± 22.6 | 10.2 ± 6.3° | 2.2 ± 2.6 ∙° |