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: | e2475 | |
|---|---|---|
| Name: | 1-Ethylpyridinium hexafluorophosphate | |
| Description: | ||
| Labels: | ||
| CAS: | 103173-73-5 | |
| InChi Code: | InChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1 |
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) |