Table 4.
The observed and predicted activities using MLR, MNLR and CVLOO techniques.
| Molecules number | Observed pIC50 | Predicted pIC50 (MLR) | Predicted pIC50 (MNLR) | Predicted pIC50 (CVLOO) |
|---|---|---|---|---|
| 1 | 7.824 | 7.551 | 7.601 | 7.541 |
| 2 | 8.097 | 7.802 | 7.844 | 7.780 |
| 3 | 7.638 | 7.836 | 7.866 | 7.856 |
| 5 | 7.921 | 8.097 | 7.976 | 8.128 |
| 6 | 7.770 | 7.559 | 7.563 | 7.528 |
| 7 | 7.638 | 7.709 | 7.732 | 7.721 |
| 8 | 8.000 | 7.743 | 7.734 | 7.704 |
| 9 | 7.420 | 7.329 | 7.387 | 7.325 |
| 11 | 8.000 | 8.067 | 8.042 | 8.105 |
| 12 | 8.155 | 8.119 | 8.148 | 8.105 |
| 13 | 8.000 | 8.081 | 7.983 | 8.114 |
| 15 | 8.398 | 8.376 | 8.458 | 8.370 |
| 16 | 7.538 | 7.775 | 7.833 | 7.824 |
| 20 | 7.108 | 7.056 | 6.887 | 7.047 |
| 21 | 7.161 | 7.298 | 7.361 | 7.307 |
| 22 | 7.745 | 7.351 | 7.406 | 7.318 |
| 23 | 6.678 | 6.813 | 6.691 | 6.833 |
| 24 | 6.979 | 6.712 | 6.616 | 6.645 |
| 25 | 6.947 | 7.205 | 7.266 | 7.267 |
| 26 | 7.678 | 7.258 | 7.322 | 7.156 |
| 27 | 6.356 | 6.878 | 6.970 | 7.027 |
| 28 | 7.699 | 7.376 | 7.511 | 7.233 |
| 30 | 7.260 | 7.592 | 7.562 | 7.650 |
| 32 | 7.481 | 7.602 | 7.684 | 7.625 |
| 33 | 7.678 | 7.485 | 7.522 | 7.418 |
| 34 | 7.721 | 8.098 | 7.660 | 8.259 |
| 35 | 7.569 | 7.073 | 7.208 | 6.944 |
| 36 | 6.201 | 6.797 | 6.569 | 7.075 |
| 37 | 6.658 | 6.882 | 6.825 | 7.019 |
| 38 | 7.367 | 7.257 | 7.316 | 7.230 |
| 39 | 7.585 | 7.493 | 7.580 | 7.473 |
| 40 | 7.824 | 7.823 | 7.973 | 7.823 |