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: | e3554 | |
|---|---|---|
| Name: | 4-Nitropyridine-1-oxide | |
| Description: | ||
| Labels: | ||
| CAS: | 1124-33-0 | |
| InChi Code: | InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H |
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) |