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: | e4288 | |
|---|---|---|
| Name: | 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride | |
| Description: | ||
| Labels: | ||
| CAS: | 3327-22-8 | |
| InChi Code: | InChI=1S/C6H15ClNO/c1-8(2,3)5-6(9)4-7/h6,9H,4-5H2,1-3H3/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) |