Skip to main content
. Author manuscript; available in PMC: 2013 Apr 2.
Published in final edited form as: Mol Pharm. 2012 Mar 16;9(4):996–1010. doi: 10.1021/mp300023x

Table 3.

The performance of the RP models based on the ECFP_8 fingerprint set for the training and test sets based on different tree depths

Training set Test set

Tree depth Model TP FN FP TN SE SP PRE1 PRE2 GA C TP FN FP TN SE SP PRE1 PRE2 GA C
2 RP-1 209 74 60 250 0.739 0.806 0.777 0.772 0.774 0.547 48 13 12 47 0.787 0.797 0.800 0.783 0.792 0.583
3 RP-2 235 48 60 250 0.830 0.806 0.797 0.839 0.818 0.636 53 8 14 45 0.869 0.763 0.791 0.849 0.817 0.636
4 RP-3 233 50 54 256 0.823 0.826 0.812 0.837 0.825 0.649 53 8 14 45 0.869 0.763 0.791 0.849 0.817 0.636
5 RP-4 254 29 62 248 0.898 0.800 0.804 0.895 0.847 0.698 55 6 19 40 0.902 0.678 0.743 0.870 0.792 0.596
6 RP-5 255 28 53 257 0.901 0.829 0.828 0.902 0.863 0.730 55 6 17 42 0.902 0.712 0.764 0.875 0.808 0.626
7 RP-6 251 32 46 264 0.887 0.852 0.845 0.892 0.868 0.738 54 7 16 43 0.885 0.729 0.771 0.860 0.808 0.623
8 RP-7 251 32 46 264 0.887 0.852 0.845 0.892 0.868 0.738 53 8 16 43 0.869 0.729 0.768 0.843 0.800 0.604
9 RP-8 251 32 46 264 0.887 0.852 0.845 0.892 0.868 0.738 54 7 16 43 0.885 0.729 0.771 0.860 0.808 0.623
10 RP-9 251 32 46 264 0.887 0.852 0.845 0.892 0.868 0.738 54 7 16 43 0.885 0.729 0.771 0.860 0.808 0.623