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Table 3 awROC Enrichments at 1.0%.

From: Optimal assignment methods for ligand-based virtual screening

target DOCK FieldScreen MACCS OAK OAKFLEX 2SHA OAAP
ace 13.5 ± 4.1 12.6 36.8 ± 4.9 47.3 ± 4.8 52.5 ± 4.8 42.0 ± 4.9 20.5 ± 4.3
ache 0.0 ± 0.0 20.4 9.8 ± 2.4 13.0 ± 2.5 14.2 ± 2.6 15.2 ± 2.8 11.8 ± 2.4
cdk2 9.5 ± 2.7 3.8 4.9 ± 1.0 6.5 ± 1.5 4.9 ± 1.5 11.1 ± 2.4 15.7 ± 2.8
cox2 5.3 ± 1.4 29.5 10.7 ± 1.7 17.2 ± 2.0 24.0 ± 2.4 33.7 ± 2.9 46.1 ± 3.1
egfr 7.7 ± 1.6 29.5 20.4 ± 1.6 40.3 ± 3.1 26.2 ± 1.8 56.2 ± 2.5 28.3 ± 2.0
fxa 13.5 ± 3.6 2.8 15.7 ± 3.9 10.5 ± 3.3 5.2 ± 2.4 5.2 ± 2.4 10.5 ± 3.3
hivrt 2.2 ± 0.9 11.7 10.7 ± 3.7 10.7 ± 2.8 10.7 ± 2.8 10.7 ± 2.8 19.6 ± 4.0
inha 0.0 ± 0.0 31.2 31.0 ± 4.0 25.2 ± 3.6 22.9 ± 3.6 42.3 ± 4.2 31.8 ± 3.7
p38 0.0 ± 0.0 1.8 0.5 ± 0.2 14.1 ± 3.2 11.8 ± 2.5 16.3 ± 3.2 5.6 ± 2.2
pde5 6.7 ± 3.1 4.5 2.3 ± 1.7 4.5 ± 2.0 4.5 ± 2.0 2.3 ± 1.2 0.0 ± 0.0
pdgfrb 0.0 ± 0.0 13.6 23.2 ± 3.5 23.9 ± 3.4 22.9 ± 3.4 22.3 ± 3.4 31.4 ± 3.4
src 4.7 ± 2.1 7.0 0.0 ± 0.0 3.8 ± 0.5 5.4 ± 0.6 9.7 ± 2.2 2.8 ± 0.5
vegfr2 3.2 ± 1.5 8.1 9.4 ± 2.2 3.1 ± 0.8 6.3 ± 1.7 9.4 ± 3.1 9.4 ± 2.2
avg. rank 5.54 4.00 4.73 3.65 4.04 2.73 3.23
  1. awROC Enrichments at 1.0% false positive fraction of DOCK, FieldScreen, MACCS keys, and the optimal assignment methods.