Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | 1530 | |
|---|---|---|
| Name: | 4,4',4"-Ethane-1,1,1-triyltriphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 27955-94-8 | |
| InChi Code: | InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3 |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| agonist |
experimental value |
| agonist |
Agonists_model: Agonist model (Training set) |
| inactive |
Agonists_model: Agonist 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 |
|---|---|
| agonist |
experimental value |
| agonist |
MultiClass_model: Multi-Class model (Training set) |
| antagonist |
MultiClass_model: Multi-Class model (OOB) |