Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e1197 | |
|---|---|---|
| Name: | Linotroban | |
| Description: | ||
| Labels: | ||
| CAS: | 120824-08-0 | |
| InChi Code: | InChI=1S/C14H15NO5S2/c16-13(17)10-20-14-7-6-11(21-14)8-9-15-22(18,19)12-4-2-1-3-5-12/h1-7,15H,8-10H2,(H,16,17) |
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 |
| 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) |