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Table 6 awAUC values.

From: Optimal assignment methods for ligand-based virtual screening

target DOCK FieldScreen MACCS OAK OAKFLEX 2SHA OAAP
ace 0.67 ± 0.03 0.64 0.86 ± 0.02 0.84 ± 0.03 0.81 ± 0.03 0.86 ± 0.03 0.72 ± 0.04
ache 0.57 ± 0.02 0.62 0.37 ± 0.03 0.44 ± 0.03 0.46 ± 0.04 0.50 ± 0.04 0.50 ± 0.03
cdk2 0.53 ± 0.03 0.44 0.55 ± 0.02 0.55 ± 0.02 0.46 ± 0.02 0.48 ± 0.03 0.53 ± 0.03
cox2 0.68 ± 0.02 0.82 0.56 ± 0.02 0.77 ± 0.02 0.77 ± 0.01 0.79 ± 0.01 0.87 ± 0.01
egfr 0.55 ± 0.02 0.82 0.60 ± 0.02 0.72 ± 0.02 0.70 ± 0.02 0.72 ± 0.02 0.49 ± 0.02
fxa 0.72 ± 0.03 0.74 0.45 ± 0.03 0.46 ± 0.03 0.50 ± 0.03 0.56 ± 0.03 0.57 ± 0.03
hivrt 0.73 ± 0.02 0.63 0.54 ± 0.04 0.53 ± 0.03 0.47 ± 0.03 0.53 ± 0.04 0.65 ± 0.03
inha 0.26 ± 0.02 0.72 0.64 ± 0.03 0.53 ± 0.04 0.52 ± 0.04 0.64 ± 0.03 0.59 ± 0.04
p38 0.36 ± 0.02 0.27 0.38 ± 0.02 0.47 ± 0.03 0.49 ± 0.03 0.76 ± 0.01 0.43 ± 0.03
pde5 0.48 ± 0.04 0.62 0.28 ± 0.03 0.37 ± 0.04 0.32 ± 0.03 0.38 ± 0.03 0.35 ± 0.03
pdgfrb 0.40 ± 0.02 0.40 0.54 ± 0.03 0.58 ± 0.03 0.52 ± 0.03 0.49 ± 0.03 0.58 ± 0.03
src 0.52 ± 0.02 0.39 0.50 ± 0.02 0.66 ± 0.02 0.72 ± 0.02 0.74 ± 0.01 0.30 ± 0.02
vegfr2 0.42 ± 0.03 0.53 0.42 ± 0.03 0.31 ± 0.03 0.33 ± 0.02 0.54 ± 0.03 0.41 ± 0.03
avg. rank 4.27 3.42 4.50 4.04 4.62 3.08 3.92
  1. awAUC values of DOCK, FieldScreen, MACCS keys, and the optimal assignment methods.