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) |