Table 13 Mean Δ EF and standard deviation for the bind_fp similarity method (approach B2)
From: Improving structural similarity based virtual screening using background knowledge
Bind_fp | |||
|---|---|---|---|
DuD set | 1% | 5% | 10% |
HMGR | 36.5 ± 2.0 | 20.2 ± 3.2 | 10.0 ± 2.2 |
ER | 36.8 ± 11.2 | 20.2 ± 6.0 | 10.0 ± 3.9 |
PPAR γ | 34.3 ± 5.4 | 19.6 ± 4.1 | 6.8 ± 2.3 |
P38 MAP | 20.0 ± 0.0 | 17.3 ± 6.8 | 8.6 ± 1.4 |
TK | 36.6 ± 13.7 | 20.2 ± 12.0 | 10.1 ± 4.2 ∙ |
FXa | 9.9 ± 7.6 | 8.5 ± 0.0 | 4.2 ± 0.8 |
ADA | 36.7 ± 8.5 | 20.1 ± 0.0 | 10.0 ± 0.9 |
DHFR | 36.5 ± 16.8 | 20.0 ± 7.9 | 10.0 ± 1.0 |
AChE | 36.4 ± 6.9 | 20.1 ± 9.2 | 10.0 ± 3.2 |
COX-2 | 35.7 ± 7.5 | 19.8 ± 6.2 | 9.9 ± 1.0 |