In Silico Quantitative Structure-Activity Relationship Studies on P-gp Modulators of Tetrahydroisoquinoline-Ethyl-Phenylamine Series

Table 7 Different statistical parameter obtained for HQSAR models.

Model	Fragment distinction	N	q ²	StdErr	r ²	SEE	BHL
1	A/B	6	0.432	0.482	0.908	0.194	353
2	A/DA	6	0.504	0.45	0.935	0.162	199
3	B/DA	6	0.671	0.367	0.951	0.142	97
4	A/B/C	6	0.658	0.374	0.945	0.149	151
5	A/B/Ch	6	0.661	0.372	0.945	0.150	151
6	A/B/DA	6	0.731	0.332	0.961	0.125	353
7	B/C/DA	6	0.772	0.305	0.956	0.134	97
8	A/B/C/Ch	6	0.661	0.372	0.945	0.150	151
9	A/B/H/DA	6	0.713	0.342	0.958	0.130	257
10	A/B/Ch/DA	6	0.733	0.33	0.963	0.122	353
10	A/B/C/H/Ch	6	0.375	0.505	0.910	0.192	307
11	A/B/C/Ch/DA	6	0.705	0.347	0.966	0.118	151
12	A/B/C/H/DA	6	0.676	0.364	0.959	0.130	307
13	A/B/H/DA/Ch	6	0.704	0.348	0.957	0.132	257
14	A/B/C/H/DA/Ch	5	0.603	0.395	0.894	0.204	151

A-atom; B-bond; C-connection; Ch-chirality; DA-donor/acceptor; Best model is highlighted in bold font.

ISSN: 1472-6807