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: | e4454 | |
|---|---|---|
| Name: | Nonane,1-iodo- | |
| Description: | ||
| Labels: | ||
| CAS: | 4282-42-2 | |
| InChi Code: | InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3 |
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) |