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. 2023 Dec 22;21(2):864–872. doi: 10.1021/acs.molpharmaceut.3c00964

Table 3. Performances in 5-CV Returned by All of the Developed Classifiersa.

  SE SP BA AUC –LR +LR MCC TP FP TN FN
RF 0.19 0.97 0.58 0.77 0.84 6.58 0.26 15 10 341 65
KNN 0.31 0.95 0.63 0.70 0.72 6.86 0.35 25 16 335 55
GB 0.23 0.97 0.60 0.75 0.80 6.58 0.30 18 12 339 62
XGB 0.40 0.95 0.68 0.78 0.63 8.26 0.43 32 17 334 48
BRF 0.73 0.74 0.73 0.78 0.37 2.77 0.38 58 92 259 22
uKNN 0.65 0.73 0.69 0.72 0.48 2.41 0.31 52 96 255 28
uGB 0.73 0.70 0.71 0.73 0.39 2.43 0.34 58 105 246 22
uXGB 0.68 0.72 0.70 0.72 0.44 2.43 0.32 54 98 253 26
a

For each model, the following statistics are reported: sensitivity (SE), specificity (SP), balanced accuracy (BA), area under the ROC (AUC), negative likelihood ratio (−LR), positive likelihood ratio (+LR), Matthews correlation coefficient (MCC), number of true positives (TPs), false positives (FPs), true negatives (TNs), and false negatives (FNs).