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Table 3 Median AUC and PM values with their median absolute deviations

From: Consensus queries in ligand-based virtual screening experiments

Metric Csize Policy MLQSAR dataset NRLIST dataset
MACCS ECFP4 UMOP2D MACCS ECFP4 UMOP2D
AUC 2 Oppo 0.542±0.059 0.548±0.052 0.571±0.055 0.643±0.119 0.699±0.124 0.696±0.131
Opti 0.514±0.061 0.542±0.046 0.564±0.057 0.624±0.115 0.698±0.129 0.700± 0.142
Real 0.549±0.061 0.052±0.053 0.518±0.060 0.632±0.106 0.696±0.119 0.646±0.105
Sing 0.544±0.064 0.530±0.053 0.540±0.051 0.581±0.100 0.603±0.104 0.598±0.122
5 Oppo 0.543±0.055 0.530±0.053 0.577±0.057 0.577±0.057 0.814±0.088 0.799±0.992
Opti 0.460±0.073 0.536±0.040 0.569±0.051 0.625±0.092 0.802±0.111 0.802±0.098
Real 0.569±0.058 0.562±0.052 0.496±0.057 0.675±0.086 0.774±0.087 0.709±0.092
Sing 0.536±0.065 0.521±0.051 0.536±0.053 0.574±0.100 0.600±0.106 0.598±0.123
10 Oppo 0.569±0.047 0.586±0.047 0.607±0.051 0.847±0.061 0.873±0.055 0.856±0.060
Opti 0.435±0.090 0.554±0.045 0.591±0.043 0.601±0.078 0.853±0.081 0.841±0.084
Real 0.571±0.065 0.578±0.044 0.495±0.053 0.705±0.078 0.803±0.083 0.738±0.081
Sing 0.532±0.067 0.525±0.054 0.537±0.049 0.573±0.099 0.597±0.107 0.595±0.125
\(\hbox {PM}_{10\%}\) 2 Oppo 0.588±0.059 0.615±0.058 0.615±0.074 0.912±0.088 0.933±0.067 0.933±0.067
Opti 0.542±0.071 0.609±0.053 0.621±0.073 0.875±0.116 0.941±0.059 0.930±0.070
Real 0.588±0.066 0.593±0.074 0.536±0.074 0.896±0.104 0.933±0.067 0.758±0.140
Sing 0.575±0.077 0.585±0.075 0.585±0.084 0.826±0.155 0.870±0.130 0.832±0.163
5 Oppo 0.600±0.058 0.635±0.065 0.651±0.060 0.950±0.050 0.968±0.032 0.959±0.041
Opti 0.452±0.075 0.613±0.059 0.654±0.055 0.804±0.137 0.979±0.021 0.969±0.031
Real 0.612±0.073 0.623±0.068 0.523±0.068 0.899±0.101 0.955±0.045 0.763±0.160
Sing 0.569±0.086 0.568±0.079 0.579±0.084 0.817±0.152 0.866±0.130 0.830±0.161
10 Oppo 0.637±0.047 0.690±0.045 0.688±0.043 0.964±0.036 0.968±0.032 0.956±0.040
Opti 0.405±0.099 0.660±0.051 0.674±0.041 0.726±0.170 0.973±0.027 0.969±0.031
Real 0.617±0.063 0.635±0.074 0.528±0.063 0.896±0.090 0.951±0.049 0.724±0.146
Sing 0.571±0.082 0.576±0.078 0.576±0.079 0.809±0.158 0.862±0.134 0.830±0.155
  1. ‘csize’ stands for consensus size. A ‘’ indicates that a distribution of peformance metric values is not significantly different from the one of the single policy (Kolmogorov–Smirnov test with p-value \(\ge 0.05\)). A ‘’ indicates that a distribution of peformance metric values is not significantly different from the one of the opportunist policy. A ‘’ indicates performance worse than the single policy