Table 4 awROC Enrichments at 2.0%.
From: Optimal assignment methods for ligand-based virtual screening
target | DOCK | FieldScreen | MACCS | OAK | OAKFLEX | 2SHA | OAAP |
|---|---|---|---|---|---|---|---|
ace | 8.2 ± 1.9 | 8.9 | 21.3 ± 2.4 | 30.2 ± 2.6 | 27.6 ± 2.5 | 21.0 ± 3.0 | 14.7 ± 2.6 |
ache | 0.0 ± 0.0 | 13.5 | 5.3 ± 1.2 | 7.5 ± 1.3 | 7.5 ± 1.3 | 10.1 ± 1.4 | 6.3 ± 1.3 |
cdk2 | 7.0 ± 1.4 | 1.9 | 2.5 ± 0.5 | 5.5 ± 1.2 | 4.8 ± 1.1 | 7.9 ± 1.4 | 8.6 ± 1.3 |
cox2 | 5.9 ± 1.3 | 17.8 | 6.8 ± 0.8 | 14.1 ± 1.6 | 17.6 ± 1.5 | 22.9 ± 1.4 | 24.6 ± 1.4 |
egfr | 7.2 ± 0.8 | 18.1 | 11.0 ± 0.8 | 24.1 ± 1.3 | 20.5 ± 1.3 | 29.2 ± 1.2 | 15.8 ± 1.1 |
fxa | 6.8 ± 1.8 | 5.4 | 7.9 ± 2.0 | 5.3 ± 1.7 | 2.6 ± 1.2 | 2.6 ± 1.2 | 5.3 ± 1.7 |
hivrt | 2.2 ± 0.5 | 11.7 | 8.8 ± 1.8 | 8.3 ± 2.1 | 5.4 ± 1.8 | 5.4 ± 1.4 | 9.8 ± 2.0 |
inha | 0.0 ± 0.0 | 15.6 | 17.5 ± 2.0 | 15.9 ± 1.9 | 13.8 ± 1.7 | 22.2 ± 2.1 | 16.2 ± 2.0 |
p38 | 0.8 ± 0.6 | 0.9 | 0.8 ± 0.3 | 9.8 ± 1.9 | 9.3 ± 1.6 | 8.8 ± 1.6 | 5.7 ± 1.7 |
pde5 | 7.8 ± 1.7 | 9.7 | 1.1 ± 0.8 | 2.3 ± 1.0 | 3.4 ± 0.8 | 4.5 ± 0.8 | 0.0 ± 0.0 |
pdgfrb | 0.0 ± 0.0 | 9.1 | 12.8 ± 1.8 | 12.1 ± 1.7 | 11.5 ± 1.7 | 11.3 ± 1.7 | 18.8 ± 1.7 |
src | 2.5 ± 1.1 | 3.7 | 0.0 ± 0.0 | 2.5 ± 0.2 | 6.4 ± 1.1 | 7.7 ± 1.2 | 1.6 ± 0.3 |
vegfr2 | 3.2 ± 1.1 | 7.3 | 6.4 ± 1.3 | 3.2 ± 0.9 | 3.2 ± 0.9 | 9.5 ± 1.5 | 4.8 ± 1.1 |
avg. rank | 6.54 | 3.62 | 4.93 | 3.58 | 4.12 | 2.81 | 3.73 |