Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e1209 | |
|---|---|---|
| Name: | Metocinium iodide | |
| Description: | ||
| Labels: | ||
| CAS: | 2424-71-7 | |
| InChi Code: | InChI=1S/C19H24NO3.HI/c1-20(2,3)14-15-23-18(21)19(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,22H,14-15H2,1-3H3;1H/q+1;/p-1 |
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 |
| inactive |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Evaluation set) |