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Table 10 Statistical validation results of all possible CoMSIA models

From: Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

S. No. Descriptors Q2 R2 SEE N
1 Steric (S) 0.639 0.963 0.0771 5
2 Electrostatic (E) 0.662 0.901 0.1216 4
3 Hydrophobic (H) 0.651 0.967 0.0726 5
4 H-Bond Donor(D) 0.659 0.900 0.1223 4
5 H-Bond Acceptor(A) 0.600 0.943 0.0956 5
6 S + E 0.655 0.901 0.1216 4
7 S + H 0.646 0.968 0.0720 5
8 S + D 0.662 0.904 0.1199 4
9 S + A 0.597 0.943 0.0952 5
10 E + H 0.648 0.946 0.0931 5
11 E + D 0.701 0.873 0.1338 3
12 E + A 0.619 0.944 0.0944 5
13 H + D 0.660 0.906 0.1185 4
14 H + A 0.602 0.950 0.0895 5
15 S + E + H 0.647 0.973 0.0682 6
16 S + E + D 0.702 0.877 0.1318 3
17 S + E + A 0.627 0.943 0.0952 5
18 S + H + A 0.600 0.950 0.0894 5
19 S + H + D 0.661 0.909 0.1167 4
20 S + A + D 0.610 0.900 0.1222 4
21 E + A + D 0.662 0.865 0.1378 3
22 E + A + H 0.629 0.951 0.0886 5
23 A + H + D 0.608 0.901 0.1217 4
24 E + D + H 0.699 0.879 0.1306 3
25 S + E + H + D 0.700 0.882 0.1288 3
26 S + E + H + A 0.636 0.950 0.0890 5
27 S + H + D + A 0.661 0.871 0.1350 3
28 E + H + D + A 0.661 0.871 0.1353 3
29 S + E + D + A 0.665 0.870 0.1353 3
30 S + E + H + D + A 0.664 0.875 0.1327 3