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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
  1. awROC Enrichments at 5.0% false positive fraction of DOCK, FieldScreen, MACCS keys, and the optimal assignment methods.