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 |