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Table 2 awROC Enrichments at 0.5%.

From: Optimal assignment methods for ligand-based virtual screening

target DOCK FieldScreen MACCS OAK OAKFLEX 2SHA OAAP
ace 17.0 ± 6.2 14.7 55.7 ± 8.5 94.5 ± 8.7 94.5 ± 9.6 73.5 ± 8.6 30.5 ± 8.4
ache 0.0 ± 0.0 16.7 19.1 ± 4.6 24.5 ± 4.8 24.9 ± 4.8 24.8 ± 4.9 23.1 ± 4.7
cdk2 4.0 ± 6.1 7.5 9.4 ± 1.8 9.4 ± 1.8 9.4 ± 1.8 9.4 ± 3.7 24.1 ± 4.7
cox2 1.9 ± 0.6 48.8 17.0 ± 3.0 25.7 ± 3.6 42.5 ± 4.5 38.3 ± 6.4 68.4 ± 5.5
egfr 7.6 ± 2.2 52.4 40.3 ± 3.2 56.6 ± 3.9 47.4 ± 3.6 103.6 ± 6.9 53.1 ± 4.3
fxa 15.1 ± 6.8 0.0 30.0 ± 7.4 20.0 ± 6.3 10.0 ± 4.6 10.0 ± 4.6 20.0 ± 6.3
hivrt 4.4 ± 1.8 40.0 22.0 ± 5.5 20.1 ± 5.6 20.1 ± 5.6 20.1 ± 5.6 34.8 ± 8.0
inha 0.0 ± 0.0 56.7 49.9 ± 7.7 31.8 ± 8.7 43.9 ± 8.4 57.9 ± 13.5 60.7 ± 7.4
p38 0.0 ± 0.0 3.7 1.0 ± 0.4 22.2 ± 5.9 18.8 ± 5.0 28.2 ± 6.3 10.7 ± 4.3
pde5 4.4 ± 4.3 6.8 4.3 ± 3.3 8.6 ± 4.0 8.6 ± 4.0 4.3 ± 2.3 0.0 ± 0.0
pdgfrb 0.0 ± 0.0 27.3 42.0 ± 7.4 47.0 ± 6.7 44.4 ± 6.7 43.9 ± 6.7 57.7 ± 6.8
src 0.0 ± 0.0 13.7 0.0 ± 0.0 5.7 ± 1.2 9.2 ± 1.2 4.3 ± 1.6 4.7 ± 1.0
vegfr2 6.2 ± 3.0 12.9 18.7 ± 4.5 6.3 ± 1.6 12.5 ± 3.4 12.5 ± 3.4 12.5 ± 4.1
avg. rank 6.27 4.08 4.35 3.23 3.27 3.54 3.12
  1. awROC Enrichments at 0.5% false positive fraction of DOCK, FieldScreen, MACCS keys, and the optimal assignment methods.