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: | e4468 | |
|---|---|---|
| Name: | Metanixin | |
| Description: | ||
| Labels: | ||
| CAS: | 4394-04-1 | |
| InChi Code: | InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-13-11(14(17)18)7-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18) |
Properties
er_ant: Activity in ER antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set) |