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: | e5435 | |
|---|---|---|
| Name: | (3aR,4S,7R,7aS)-3a-Methyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione | |
| Description: | ||
| Labels: | ||
| CAS: | 25134-21-8 | |
| InChi Code: | InChI=1S/C10H10O3/c1-10-6-3-2-5(4-6)7(10)8(11)13-9(10)12/h2-3,5-7H,4H2,1H3 |
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) |