Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e1892 | |
|---|---|---|
| Name: | (+)-Epibatidine hydrochloride | |
| Description: | ||
| Labels: | ||
| CAS: | 152885-09-1 | |
| InChi Code: | InChI=1S/C11H13ClN2.ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;/h1,4,6,8-10,14H,2-3,5H2;1H/t8-,9+,10+;/m1./s1 |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Agonists_model: Agonist model (Evaluation set) |
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| binder |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
MultiClass_model: Multi-Class model (Evaluation set) |