Table 5.
Data of the selected descriptors used in this study and predicted values of pIC50 (HeLa).
| Compound | ASP | GATS3e | Predicted pIC 50 (HeLa) |
|---|---|---|---|
| 1 | 0.600 | 1.802 | 4.056 |
| 1b | 0.239 | 1.784 | 3.904 |
| 1c | 0.238 | 1.788 | 3.904 |
| 2 | 0.628 | 1.971 | 4.090 |
| 2b | 0.274 | 1.891 | 3.932 |
| 2c | 0.308 | 1.902 | 3.947 |
| 3 | 0.662 | 1.817 | 4.084 |
| 3b | 0.224 | 1.791 | 3.898 |
| 3c | 0.279 | 1.805 | 3.923 |
| 4 | 0.659 | 1.799 | 4.080 |
| 4b | 0.227 | 1.779 | 3.898 |
| 4c | 0.282 | 1.793 | 3.923 |
| 5 | 0.559 | 1.996 | 4.064 |
| 5b | 0.260 | 1.912 | 3.929 |
| 5c | 0.258 | 1.922 | 3.929 |
| 6 | 0.657 | 1.823 | 4.082 |
| 6b | 0.247 | 1.794 | 3.908 |
| 6c | 0.297 | 1.808 | 3.931 |