. 2013 Sep 19;54(1):218–229. doi: 10.1021/ci400289j

Table 4. Matthews Correlation Coefficient of the Models for the Internal Test Set Predictions (10-Fold Cross-Validations Are Provided in the Parentheses)^a.

	BestFirst descriptor models
classification methods	MOE	MACCS	SS-FP	combined
RF	0.60 (0.64)	0.47 (0.55)	0.40 (0.43)	0.63 (0.66)
SVM	0.61 (0.55)	0.31 (0.38)	0.40 (0.38)	0.59 (0.59)
KNN	0.61 (0.61)	0.43 (0.46)	0.40 (0.41)	0.61 (0.59)
BQSAR	0.54 (0.63)	0.35 (0.41)	0.32 (0.41)	0.51 (0.57)

Note: RF, random forest; SVM, support vector machine; kNN, kappa nearest neighbor; BQSAR, binary QSAR.

Table 4. Matthews Correlation Coefficient of the Models for the Internal Test Set Predictions (10-Fold Cross-Validations Are Provided in the Parentheses)a.