Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | 1504 | |
|---|---|---|
| Name: | PharmaGSID_48514 | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C17H16ClNO4S/c1-12-3-8-15(16(18)11-12)17(20)19-24(21,22)10-9-13-4-6-14(23-2)7-5-13/h3-11H,1-2H3,(H,19,20)/b10-9+ |
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 |
|---|---|
| inactive |
experimental value |
| antagonist |
Antagonists_model: Antagonist model (Test set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Binders_model: Binding model (Training set) |
| binder |
Binders_model: Binding model (OOB) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Test set) |