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

Organic and Medicinal Chemistry Letters

Table 5 Statistical results of kNN-MFA method

S. no.	Statistical parameters	Model-4 (SW-FB)	Model-5 (SA)	Model-6 (GA)
1	n	24_Training and 8_Test	24_Training and 8_Test	24_Training and 8_Test
2	k	2	2	2
3	DF	21	19	19
4	q ²	0.653	0.693	0.622
5	q²_se	0.54	0.526	0.516
6	pred_r²	0.523	0.537	0.563
7	pred_r²se	0.423	0.83	0.488
8	Descriptors (Vn)	E_895	E_509	S_477
		E_805	E_875	S_664
			S_526
			E_147

n, number of observations (molecules); k, number of nearest neighbors; DF, degree of freedom; Vn, q², cross-validated r² (by the LOO method); pred_r², predicted r² for the external test set; pred_r² se = coefficient of correlation of predicted data set; V _n, number of descriptors.