Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e4985 | |
|---|---|---|
| Name: | 1,3-Didecyl-2-methylimidazolium chloride | |
| Description: | ||
| Labels: | ||
| CAS: | 70862-65-6 | |
| InChi Code: | InChI=1S/C24H47N2.ClH/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21H2,1-3H3;1H/q+1;/p-1 |
Properties
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| antagonist |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| binder |
experimental value |
| binder |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Evaluation set) |