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: | e5087 | |
|---|---|---|
| Name: | Myralact | |
| Description: | ||
| Labels: | ||
| CAS: | 15518-87-3 | |
| InChi Code: | InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18/h17-18H,2-16H2,1H3 |
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) |