Validation parameters used for external validation of the QSAR models.

Algorithm	Training set			LOO-CV set			External set
	R TR	RMSETR	MAETR	Q CV	RMSECV	MAECV	Q EX	RMSEEX	MAEEX
MLR	0.9088	0.3017	0.2301	0.7860	0.1301	0.2276	0.7662	0.4557	0.2531
ANN	0.9615	0.2405	0.1882	0.7784	0.1524	0.1354	0.7581	0.3423	0.2098
SVM	0.9845	0.2049	0.0973	0.8802	0.1368	0.5336	0.8793	0.1464	0.108