Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e4028 | |
|---|---|---|
| Name: | 2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate) | |
| Description: | ||
| Labels: | ||
| CAS: | 1985-51-9 | |
| InChi Code: | InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3 |
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 |
| inactive |
MultiClass_model: Multi-Class model (Evaluation set) |