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Table 7 Different statistical parameter obtained for HQSAR models.

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

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