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: | e2013 | |
|---|---|---|
| Name: | 1,4-Dioxane | |
| Description: | ||
| Labels: | ||
| CAS: | 123-91-1 | |
| InChi Code: | InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
Properties
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) |