Table 4.
Observed and predicted pIC50 values for tetra- variable model using SVM and MLR dataset 2 (16 Compounds).Nipecotic Acid Tiagabine
| Molecule | pIC50 | Predicted(pIC50) | Predicted(pIC50) |
|---|---|---|---|
| Linear (MLR) | Non-linear (SVM) | ||
| 1_NIPECOTIC ACID | 4.089 | 4.121 | 3.555 |
| 2_TIAGABINE | 6.553 | 6.606 | 6.299 |
| 1a | 5.866 | 5.529 | 5.756 |
| 1b | 4.910 | 4.843 | 4.862 |
| 1d | 6.027 | 6.062 | 6.010 |
| 1e | 6.187 | 6.510 | 6.173 |
| 1f | 4.559 | 4.745 | 4.559 |
| 2b | 5.553 | 5.749 | 5.560 |
| 2c | 5.149 | 5.390 | 5.149 |
| 2d | 6.167 | 6.051 | 6.082 |
| 2e | 6.469 | 5.982 | 6.482 |
| 2f | 6.076 | 6.004 | 5.372 |
| 2g | 4.178 | 4.213 | 4.179 |
| 3d | 5.907 | 5.903 | 5.907 |
| 3e | 5.824 | 5.955 | 5.835 |
| 3f | 5.363 | 5.211 | 5.732 |