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: | e4457 | |
|---|---|---|
| Name: | 3-Chloro-2,2-dimethylpropanoyl chloride | |
| Description: | ||
| Labels: | ||
| CAS: | 4300-97-4 | |
| InChi Code: | InChI=1S/C5H8Cl2O/c1-5(2,3-6)4(7)8/h3H2,1-2H3 |
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) |