Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e4168 | |
|---|---|---|
| Name: | Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate | |
| Description: | ||
| Labels: | ||
| CAS: | 70321-85-6 | |
| InChi Code: | InChI=1S/C10H11NO5S.K/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16);/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) |