Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e37 | |
|---|---|---|
| Name: | Prednisolone acetate | |
| Description: | ||
| Labels: | ||
| CAS: | 52-21-1 | |
| InChi Code: | InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| agonist |
experimental value |
| agonist |
Agonists_model: Agonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| binder |
experimental value |
| binder |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| agonist |
experimental value |
| agonist |
MultiClass_model: Multi-Class model (Evaluation set) |