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: | e4133 | |
|---|---|---|
| Name: | 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt | |
| Description: | ||
| Labels: | ||
| CAS: | 2657-00-3 | |
| InChi Code: | InChI=1S/C10H6N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,11H/p+1 |
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) |