| Com |
2D QSAR Model-1a |
2D QSAR model-2b |
2D QSAR model-3c |
| Pred. |
Res. |
Pred. |
Res. |
Pred. |
Res. |
| 1 |
4.4317 |
0.0242 |
4.3084 |
0.2144 |
4.7074 |
-0.1846 |
| 2 |
4.2281 |
0.1698 |
4.3695 |
0.0284 |
4.2976 |
-0.038 |
| 3 |
5.2154 |
-0.2022 |
4.9156 |
0.0976 |
5.1473 |
-0.1341 |
| 4 |
4.9122 |
0.101 |
4.9878 |
0.0254 |
4.9971 |
0.0161 |
| 5 |
4.7420 |
-0.14 |
4.6534 |
0.1705 |
4.6346 |
-0.0326 |
| 6 |
4.5393 |
-0.0165 |
4.7242 |
-0.1222 |
4.8488 |
-0.0249 |
| 7 |
4.4178 |
-0.0199 |
4.3472 |
0.1087 |
4.3908 |
0.0071 |
| 8 |
4.1160 |
0.1058 |
4.4364 |
0.0864 |
4.3515 |
-0.0505 |
| 9 |
4.0645 |
0.1951 |
4.3674 |
0.0305 |
4.2854 |
-0.0258 |
| 10 |
4.5678 |
-0.1699 |
4.0609 |
0.1987 |
4.3789 |
0.019 |
| 11 |
4.1782 |
0.2197 |
4.4698 |
-0.248 |
4.4133 |
-0.1915 |
| 12 |
4.3144 |
-0.0548 |
4.2951 |
-0.1982 |
4.1738 |
0.048 |
| 13 |
4.1818 |
0.2741 |
4.4439 |
0.1581 |
4.4317 |
0.0242 |
| 14 |
4.0928 |
0.0942 |
4.1987 |
-0.1282 |
4.3845 |
0.0134 |
| 15 |
4.4438 |
-0.0459 |
4.4543 |
0.2446 |
4.6173 |
-0.0153 |
| 16 |
4.1438 |
0.078 |
4.1587 |
-0.0882 |
4.1782 |
-0.0813 |
| 17 |
3.9326 |
0.1131 |
- |
- |
4.0092 |
0.013 |
| 18 |
4.2737 |
-0.228 |
- |
- |
4.1307 |
-0.1085 |
| 19 |
4.3597 |
-0.1727 |
- |
- |
4.0334 |
0.0635 |
| 20 |
4.2587 |
-0.1882 |
4.3569 |
-0.0973 |
4.1527 |
-0.107 |
| 21 |
- |
- |
4.1491 |
-0.1269 |
- |
- |
| 22 |
4.6611 |
0.0378 |
4.9714 |
0.0418 |
4.8108 |
0.0131 |
| 23 |
4.9910 |
-0.1671 |
4.7679 |
0.056 |
5.0979 |
-0.0847 |
|
