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: | e7140 | |
|---|---|---|
| Name: | Sevelamer hydrochloride | |
| Description: | ||
| Labels: | ||
| CAS: | 152751-57-0 | |
| InChi Code: | InChI=1S/C20H46N4O/c1-5-18(11-21)9-16(3)7-8-23-14-20(25)15-24-13-17(4)10-19(6-2)12-22/h16-20,23-25H,5-15,21-22H2,1-4H3 |
Properties
er_ago: Activity in ER agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set) |
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) |
er_bin: Binding activity in estrogen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| binder |
Tab3.binders: Model for binding in ER (Evaluation set) |