Table 1. Compounds Used for the Training and Prediction of the QSAR Models.
| training |
prediction |
||
|---|---|---|---|
| name | Gα-interaction (kcal/mol) | name | Gα-interaction (kcal/mol) |
| 5-oxo-ETE | –896.5 | 5-HETE | –710.8 |
| testosterone | –663 | 12-HpETE | –713.8 |
| TC150 | –657.3 | 15HpETE | –758.3 |
| TC151 | –645.2 | 12-HETE | –717.7 |
| TC153 | –635.2 | 15-HETE | –723.8 |
| B2 | –665.2 | progesterone | –773.6 |
| B5 | –736.2 | DHEA | –660.8 |
| epicatechin | –642.8 | TC404 | –680.8 |
| TC405 | –692 | ||
| TC406 | –662.8 | ||
| TC407 | –732.4 | ||
| B1 | –676.6 | ||
| B3 | –663.8 | ||
| B4 | –682.9 | ||
| catechin | –669.2 | ||
| catechin_galate | –718.5 | ||
| epicatechin-3-O-gallate | –680.2 | ||
| epigallocatechin_gallate | –721.7 | ||