Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.
Compound
| ID: | e5790 | |
|---|---|---|
| Name: | Enzacamene | |
| Description: | ||
| Labels: | ||
| CAS: | 36861-47-9 | |
| InChi Code: | InChI=1S/C17H20O/c1-11-4-6-12(7-5-11)10-13-14-8-9-15(16(13)18)17(14,2)3/h4-7,10,14-15H,8-9H2,1-3H3/b13-10+ |
Properties
er_ant: Activity in ER antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set) |