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. 2021 Aug 11;13(8):1237. doi: 10.3390/pharmaceutics13081237

Table 1.

The performance of classification models developed on Dataset_1 for discriminating B3PPs and CPPs; models were developed using different machine learning techniques.

Methods Training Dataset_1 Validation Dataset_1
Sens Spec Acc AUROC MCC Sens Spec Acc AUROC MCC
RF 86.04 84.18 82.09 0.90 0.64 75.92 87.03 81.48 0.88 0.63
XGB 81.39 82.32 80.93 0.88 0.62 79.63 88.89 84.25 0.88 0.68
LR 82.79 83.25 83.48 0.90 0.67 81.48 87.03 84.26 0.91 0.69
SVC 83.25 82.79 81.86 0.88 0.64 74.07 92.59 83.33 0.91 0.67
KNN 66.51 64.65 65.58 0.74 0.32 48.18 77.77 62.93 0.72 0.27
GNB 84.18 82.32 80 0.86 0.61 53.70 94.44 74.07 0.86 0.52
DT 78.14 75.34 73.49 0.79 0.47 74.07 70.37 72.22 0.76 0.44