Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | 941 | |
|---|---|---|
| Name: | Bis(2-ethylhexyl) terephthalate | |
| Description: | ||
| Labels: | ||
| CAS: | 6422-86-2 | |
| InChi Code: | InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3 |
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 |
| inactive |
Antagonists_model: Antagonist model (Test set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| binder |
Binders_model: Binding model (Test set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Test set) |