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: | e590 | |
|---|---|---|
| Name: | Thiosemicarbazide | |
| Description: | ||
| Labels: | ||
| CAS: | 79-19-6 | |
| InChi Code: | InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5) |
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) |