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: | e5098 | |
|---|---|---|
| Name: | Tibrofan | |
| Description: | ||
| Labels: | ||
| CAS: | 15686-72-3 | |
| InChi Code: | InChI=1S/C11H6Br3NOS/c12-6-1-3-7(4-2-6)15-11(16)9-5-8(13)10(14)17-9/h1-5H,(H,15,16) |
Properties
er_ago: Activity in ER agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| agonist |
Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set) |