Table 4.

Statistical characteristics of QSAR models for CSAR datasets assessed by 5-fold external validation.

Method	Descriptor	Target	NO AD			WITH AD
			R2	RMSE	Spearman ρ	R2	RMSE	Spearman ρ	Coverage
RF	SiRMS	CHK1 (n = 1215)	0.64	0.77	0.78	0.72	0.66	0.85	75%
SVM	Dragon		0.64	0.76	0.77	0.65	0.73	0.81	72%
QSAR_CONSENSUS			0.67	0.74	0.79	0.68	0.71	0.83	87%
RF	SiRMS	ERK2 (n = 48)	0.71	0.62	0.80	0.69	0.56	0.79	75%
SVM	Dragon		0.62	0.68	0.77	0.59	0.65	0.72	73%
QSAR_CONSENSUS			0.69	0.62	0.79	0.67	0.59	0.76	90%
RF	SiRMS	UK (n = 668)	0.69	0.66	0.85	0.77	0.53	0.89	75%
SVM	Dragon		0.68	0.72	0.84	0.70	0.64	0.86	71%
QSAR_CONSENSUS			0.71	0.68	0.87	0.73	0.61	0.88	88%