Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e5027 | |
|---|---|---|
| Name: | Hex-3-yne-2,5-diol | |
| Description: | ||
| Labels: | ||
| CAS: | 3031-66-1 | |
| InChi Code: | InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3 |
Properties
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| inactive |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| binder |
experimental value |
| inactive |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| inactive |
MultiClass_model: Multi-Class model (Evaluation set) |