Performance of the best RP classification models for the training set and test set using different combinational of molecular properties and fingerprints.
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aMP represents thirteen molecular properties. The best tree depth is 8 for RP models (MP, MP+EPFP_4 and MP+LPFP_6), 10 for RP models (MP+ECFP_6 and MP+LPFP_4), 11 for RP models (MP+FCFP_4, MP+FCFP_6, MP+LCFP_4, MP+LCFP_6 and MP+FPFP_6) and 12 for RP model (MP+FPFP_4). The detailed results can be found in Table S1 and Table S2 in Supporting Information.
创建时间：
2015-12-02
