Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | 128 | |
|---|---|---|
| Name: | Darbufelone mesylate | |
| Description: | ||
| Labels: | ||
| CAS: | 139340-56-0 | |
| InChi Code: | InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9- |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Agonists_model: Agonist model (Test set) |
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| antagonist |
Antagonists_model: Antagonist model (Training set) |
| antagonist |
Antagonists_model: Antagonist model (OOB) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| binder |
experimental value |
| binder |
Binders_model: Binding model (Training set) |
| binder |
Binders_model: Binding model (OOB) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| antagonist |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Test set) |