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: | e2712 | |
|---|---|---|
| Name: | 2,2-Dimethylvinyl chloride | |
| Description: | ||
| Labels: | ||
| CAS: | 513-37-1 | |
| InChi Code: | InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3 |
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) |