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: | e4887 | |
|---|---|---|
| Name: | Diethylaminoethyl-sephacel | |
| Description: | ||
| Labels: | ||
| CAS: | 9013-34-7 | |
| InChi Code: | InChI=1S/C18H38N2O6/c1-5-19(6-2)9-11-24-13-14-15(21)16(22)17(18(23)26-14)25-12-10-20(7-3)8-4/h14-18,21-23H,5-13H2,1-4H3 |
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 |
| inactive |
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 |
| inactive |
Tab3.binders: Model for binding in ER (Evaluation set) |