Comparison of present QSPR models with the previously reported study.

No.	Set	n	Descriptor generator	Regression method	R 2 train	RMSD	IIC	CII	Ref.
1	Training	92	Dragon and PaDEL	MLR	0.879	72.1	—	—	32
	Validation	91			0.832	91.7	—	—
	Test	90			0.915	55.4	—	—
2	ActivTRN	68	CORAL package	LR	0.885	62.7	0.658	0.928	Present work
	PassTRN	58			0.900	70.8	0.677	0.943
	Calib	54			0.904	51.6	0.951	0.944
	Valid	90			0.931	54.4	0.770	0.955