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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
  1. awROC Enrichments at 2.0% false positive fraction of DOCK, FieldScreen, MACCS keys, and the optimal assignment methods.