Table 4.

Statistical Information for the Proposed Models for the Training Set

MLR
	N	R	${\mathbf{R}}_{\mathbf{adj}}$	SEEa	Fa
Training set	156	0.775	0.756	0.478 (0.471)	232.0 (19.7)
ANN
Training set	110	0.823	0.822	0.434	227.4
Validation set	23	0.801	0.791	0.457	37.6
Test set	23	0.768	0.756	0.440	30.2
Overall	156	0.807	0.806	0.440	288.3
SVM
Training set	156	0.800	0.798	0.447	273.4

^aThe values are calculated according to correlation between experimental and prediction. The values in parentheses were computed using a MLR model with 11 descriptors. (F and SEE are dependent on the number of independent descriptors and the number of degrees of freedom [26].)