Table 6.
Data of the selected descriptors used in this study and predicted values of pIC50 (HT-29)
| 715 Compound | GATS1e | GATS3v | Predicted pIC 50 (Ht-29) |
|---|---|---|---|
| 1 | 1.746 | 2.221 | 4.521 |
| 1b | 1.381 | 2.244 | 4.376 |
| 1c | 1.390 | 2.146 | 4.387 |
| 2 | 1.773 | 2.274 | 4.528 |
| 2b | 1.400 | 2.283 | 4.380 |
| 2c | 1.412 | 2.180 | 4.393 |
| 3 | 1.803 | 2.446 | 4.525 |
| 3b | 1.427 | 2.394 | 4.382 |
| 3c | 1.441 | 2.293 | 4.396 |
| 4 | 1.803 | 2.506 | 4.521 |
| 4b | 1.427 | 2.431 | 4.379 |
| 4c | 1.441 | 2.332 | 4.392 |
| 5 | 1.780 | 2.099 | 4.545 |
| 5b | 1.416 | 2.169 | 4.396 |
| 5c | 1.427 | 2.060 | 4.409 |
| 6 | 1.803 | 2.255 | 4.541 |
| 6b | 1.427 | 2.276 | 4.391 |
| 6c | 1.441 | 2.166 | 4.406 |