Skip to main content
. 2022 Aug 8;8(8):e10101. doi: 10.1016/j.heliyon.2022.e10101

Table 9.

Statistical validation results of all possible CoMSIA models.

S/N Descriptors Q2 R2 SEE N
1 Steric (S) 0.501 0.890 0.0655 5
2 Electrostatic (E) 0.489 0.743 0.0955 2
3 Hydrophobic (H) 0.488 0.707 0.1019 2
4 H-Bond Donor(D) 0.439 0.918 0.0568 5
5 H-Bond Acceptor(A) 0.511 0.875 0.0687 4
6 S + E 0.466 0.714 0.1007 2
7 S + H 0.441 0.823 0.0804 3
8 S + D 0.429 0.940 0.0502 7
9 S + A 0.485 0.883 0.0664 4
10 E + H 0.436 0.734 0.0971 2
11 E + D 0.420 0.843 0.0758 3
12 E + A 0.547 0.880 0.0673 4
13 H + D 0.444 0.943 0.0488 7
14 H + A 0.467 0.856 0.0725 3
15 S + E + H 0.438 0.715 0.1005 2
16 S + E + D 0.419 0.946 0.0477 7
17 S + E + A 0.512 0.874 0.0691 4
18 S + H + A 0.454 0.854 0.0732 3
19 S + H + D 0.364 0.745 0.0951 2
20 S + A + D 0.486 0.952 0.0449 7
21 E + A + D 0.526 0.936 0.0502 5
22 E + A + H 0.498 0.847 0.074 3
23 A + H + D 0.491 0.924 0.054 7
24 E + D + H 0.397 0.828 0.079 3
25 S + E + H + D 0.369 0.775 0.0893 2
26 S + E + H + A 0.480 0.871 0.069 4
27 S + H + D + A 0.475 0.925 0.0542 5
28 E + H + D + A 0.534 0.963 0.0395 7
29 S + E + D + A 0.482 0.941 0.0490 6
30 S + E + H + D + A 0.489 0.959 0.0412 7