Table 5 awROC Enrichments at 5.0%.
From: Optimal assignment methods for ligand-based virtual screening
target | DOCK | FieldScreen | MACCS | OAK | OAKFLEX | 2SHA | OAAP |
|---|---|---|---|---|---|---|---|
ace | 4.6 ± 0.9 | 4.7 | 10.7 ± 1.2 | 12.1 ± 1.0 | 12.1 ± 1.0 | 11.6 ± 1.0 | 8.0 ± 1.0 |
ache | 0.8 ± 0.2 | 7.3 | 2.1 ± 0.5 | 3.9 ± 0.6 | 4.4 ± 0.6 | 5.4 ± 0.6 | 4.0 ± 0.6 |
cdk2 | 2.8 ± 0.6 | 0.8 | 2.6 ± 0.6 | 2.6 ± 0.4 | 2.6 ± 0.4 | 3.5 ± 0.5 | 3.5 ± 0.7 |
cox2 | 5.5 ± 0.5 | 10.4 | 4.9 ± 0.5 | 9.0 ± 0.6 | 8.8 ± 0.6 | 9.7 ± 0.6 | 12.2 ± 0.6 |
egfr | 4.5 ± 0.4 | 9.5 | 5.0 ± 0.4 | 11.6 ± 0.5 | 11.3 ± 0.5 | 12.1 ± 0.5 | 7.3 ± 0.5 |
fxa | 5.5 ± 1.0 | 5.4 | 3.1 ± 0.8 | 2.1 ± 0.7 | 1.1 ± 0.5 | 2.6 ± 0.8 | 2.1 ± 0.7 |
hivrt | 2.2 ± 0.6 | 5.1 | 3.5 ± 1.1 | 3.3 ± 0.8 | 3.3 ± 0.8 | 3.5 ± 0.7 | 5.1 ± 1.1 |
inha | 0.0 ± 0.0 | 6.5 | 7.0 ± 0.8 | 8.6 ± 0.8 | 5.7 ± 0.7 | 9.4 ± 0.8 | 7.0 ± 0.8 |
p38 | 1.4 ± 0.5 | 0.5 | 0.5 ± 0.1 | 4.3 ± 0.7 | 4.0 ± 0.6 | 5.0 ± 0.7 | 2.9 ± 0.7 |
pde5 | 4.3 ± 0.8 | 4.8 | 0.5 ± 0.3 | 2.3 ± 0.6 | 1.4 ± 0.3 | 2.7 ± 0.6 | 1.4 ± 0.6 |
pdgfrb | 0.0 ± 0.0 | 3.8 | 6.0 ± 0.7 | 4.9 ± 0.7 | 4.9 ± 0.7 | 4.5 ± 0.7 | 8.6 ± 0.7 |
src | 1.0 ± 0.4 | 2.5 | 0.1 ± 0.0 | 3.7 ± 0.7 | 4.5 ± 0.8 | 6.4 ± 0.7 | 1.0 ± 0.1 |
vegfr2 | 1.3 ± 0.5 | 3.5 | 2.6 ± 0.5 | 1.3 ± 0.4 | 1.3 ± 0.4 | 4.5 ± 0.7 | 2.6 ± 0.5 |
avg. rank | 5.54 | 3.69 | 5.04 | 3.69 | 4.19 | 2.23 | 3.62 |