Table 3. Performance of outstanding models from 5-fold cross-validation.

Model name	Q total	Q 1	Q 2	Q 3	Q 4
MACCS-SVM	0.762	0.720	0.811	0.679	0.795
Full_Des-SVM	0.761	0.729	0.823	0.654	0.773
CDK-SVM	0.756	0.705	0.811	0.728	0.739
Full_Des-kNN	0.755	0.699	0.750	0.765	0.841
KRFP-SVM	0.753	0.674	0.832	0.679	0.773
CDK-ANN	0.747	0.720	0.753	0.765	0.761
Pubchem-SVM	0.745	0.727	0.763	0.691	0.784
Full_Des-ANN	0.731	0.707	0.776	0.667	0.727
MACCS-RF	0.727	0.682	0.832	0.580	0.705
KRFP-ANN	0.725	0.697	0.726	0.667	0.818