2D and 3D-QSAR study on 4-anilinoquinozaline derivatives as potent apoptosis inducer and efficacious anticancer agent

Organic and Medicinal Chemistry Letters

Table 4 Statistical results of 2D-QSAR models

S. no.	Statistical Parameters	Model-1 (MLR)	Model-2 (PCR)	Model-3 (PLS)
1	n	24_Training and 8_Test	24_Training and 8_Test	24_Training and 8_Test
2	DF	17	19	30
3	r ²	0.823	0.754	0.824
4	q ²	0.763	0.667	0.6224
5	F test	23.133	24.549	31.137
6	r² se	0.432	0.393	0.435
7	q² se	0.417	0.578	0.515
8	pred_r²	0.639	0.513	0.589
9	pred_r²se	0.561	0.562	0.648

DF, degree of freedom; MLR, multiple linear regression; n, number of molecules of training set; PCR, principal component regression; PLS, partial least squares; pred_r²se, coefficient of correlation of predicted data set; r², coefficient of determination; q², cross-validated r²; pred_r², r² for external test set.