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: | e4370 | |
|---|---|---|
| Name: | 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide | |
| Description: | ||
| Labels: | ||
| CAS: | 3737-41-5 | |
| InChi Code: | InChI=1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2 |
Properties
er_ant: Activity in ER antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| inactive |
Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set) |
er_bin: Binding activity in estrogen receptor
| Value | Source or prediction |
|---|---|
| binder |
experimental value |
| inactive |
Tab3.binders: Model for binding in ER (Evaluation set) |