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Table 4 Average areas under ROC curves

From: Statistical-based database fingerprint: chemical space dependent representation of compound databases

Dataset MACCS keys (166-bit) ECFP4
1-NN DFP SB-DFP 1-NN DFP SB-DFP
BRD2 0.938 (0.035) 0.875 (0.019) 0.911 (0.031) 0.974 (0.023) 0.865 (0.037) 0.970 (0.030)
BRD3 0.940 (0.041) 0.873 (0.015) 0.905 (0.029) 0.962 (0.037) 0.861 (0.056) 0.964 (0.032)
BRD4 0.880 (0.038) 0.821 (0.036) 0.871 (0.040) 0.927 (0.037) 0.740 (0.082) 0.941 (0.026)
CREBBP 0.953 (0.025) 0.924 (0.008) 0.963 (0.009) 0.956 (0.027) 0.913 (0.016) 0.972 (0.020)
DNMT1 0.652 (0.045) 0.652 (0.049) 0.855 (0.037) 0.711 (0.058) 0.484 (0.060) 0.834 (0.042)
EHMT2 0.969 (0.033) 0.897 (0.027) 0.965 (0.023) 0.951 (0.050) 0.860 (0.042) 0.947 (0.036)
EP300 0.874 (0.041) 0.810 (0.052) 0.896 (0.026) 0.843 (0.066) 0.592 (0.076) 0.873 (0.052)
HDAC10 0.932 (0.022) 0.916 (0.043) 0.946 (0.025) 0.934 (0.032) 0.821 (0.063) 0.975 (0.016)
HDAC11 0.939 (0.024) 0.899 (0.073) 0.940 (0.034) 0.948 (0.035) 0.786 (0.065) 0.979 (0.018)
HDAC1 0.797 (0.036) 0.755 (0.085) 0.886 (0.041) 0.884 (0.035) 0.688 (0.073) 0.945 (0.030)
HDAC2 0.847 (0.035) 0.808 (0.081) 0.895 (0.042) 0.905 (0.032) 0.750 (0.048) 0.954 (0.024)
HDAC3 0.875 (0.032) 0.862 (0.059) 0.888 (0.032) 0.892 (0.035) 0.725 (0.062) 0.950 (0.025)
HDAC4 0.841 (0.039) 0.781 (0.067) 0.888 (0.021) 0.890 (0.039) 0.672 (0.060) 0.939 (0.034)
HDAC5 0.866 (0.066) 0.838 (0.036) 0.920 (0.016) 0.917 (0.030) 0.840 (0.049) 0.926 (0.035)
HDAC6 0.828 (0.028) 0.825 (0.042) 0.895 (0.011) 0.868 (0.026) 0.743 (0.072) 0.928 (0.021)
HDAC7 0.907 (0.037) 0.925 (0.037) 0.948 (0.012) 0.913 (0.027) 0.864 (0.020) 0.934 (0.024)
HDAC8 0.878 (0.024) 0.883 (0.054) 0.937 (0.011) 0.896 (0.028) 0.762 (0.043) 0.953 (0.019)
HDAC9 0.901 (0.028) 0.933 (0.031) 0.943 (0.012) 0.942 (0.019) 0.885 (0.026) 0.960 (0.018)
KAT2B 0.926 (0.039) 0.893 (0.022) 0.947 (0.033) 0.935 (0.027) 0.928 (0.022) 0.965 (0.027)
KDM1A 0.745 (0.048) 0.701 (0.051) 0.860 (0.055) 0.885 (0.038) 0.721 (0.058) 0.941 (0.034)
KDM4C 0.677 (0.067) 0.608 (0.069) 0.837 (0.044) 0.653 (0.052) 0.527 (0.045) 0.823 (0.048)
L3MBTL1 0.997 (0.001) 0.999 (0.000) 1.000 (0.000) 1.000 (0.000) 1.000 (0.000) 1.000 (0.000)
L3MBTL3 0.990 (0.003) 0.991 (0.002) 0.991 (0.003) 0.989 (0.005) 0.985 (0.004) 0.990 (0.005)
MAP3K7 0.860 (0.042) 0.791 (0.028) 0.861 (0.027) 0.858 (0.042) 0.738 (0.079) 0.911 (0.035)
MGEA5 0.985 (0.005) 0.985 (0.006) 0.979 (0.009) 0.979 (0.009) 0.996 (0.002) 0.992 (0.007)
NCOA1 0.491 (0.074) 0.572 (0.073) 0.682 (0.056) 0.618 (0.047) 0.519 (0.060) 0.722 (0.044)
NCOA3 0.530 (0.057) 0.577 (0.071) 0.680 (0.064) 0.590 (0.045) 0.503 (0.059) 0.709 (0.043)
PRMT1 0.867 (0.058) 0.673 (0.072) 0.843 (0.078) 0.881 (0.081) 0.365 (0.081) 0.934 (0.037)
Average 0.853 (0.132) 0.824 (0.129) 0.898 (0.082) 0.882 (0.113) 0.755 (0.171) 0.926 (0.077)
  1. The best performing methods for each dataset are shown in bold. If there were no significative difference between two or more methods, all of them are marked. Standard deviations are shown in parentheses