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: | e6481 | |
|---|---|---|
| Name: | 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone | |
| Description: | ||
| Labels: | ||
| CAS: | 77439-76-0 | |
| InChi Code: | InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H |
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) |