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. Author manuscript; available in PMC: 2018 May 28.
Published in final edited form as: J Chem Inf Model. 2017 Oct 13;57(11):2657–2671. doi: 10.1021/acs.jcim.7b00216

Table 2.

The performance of the predictive network models in 10-fold cross validation.

Substructure P (L=20) R (L=20) eP (L=20) eR (L=20) AUC
FP4 0.048±0.001 0.737±0.016 26.57±0.61 26.71±0.64 0.955±0.005
KR 0.049±0.001 0.754±0.016 27.03±0.63 27.30±0.64 0.958±0.005
MACCS 0.048±0.001 0.731±0.016 26.37±0.59 26.47±0.61 0.954±0.005
PubChem 0.047±0.001 0.716±0.017 25.94±0.63 25.93±0.65 0.953±0.005

P: precision, R: recall, eP: precision enhancement, eR: recall enhancement, AUC: area under the receiver operating characteristic curve. L: the length of the newly predicted target list for each natural product.