Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e2258 | |
|---|---|---|
| Name: | Sucrose octasulfate, sodium salt | |
| Description: | ||
| Labels: | ||
| CAS: | 74135-10-7 | |
| InChi Code: | InChI=1S/C12H22O27S8.8Na/c13-40(14)29-1-4-6(35-43(19)20)8(37-45(23)24)9(38-46(25)26)11(32-4)34-12(3-31-42(17)18)10(39-47(27)28)7(36-44(21)22)5(33-12)2-30-41(15)16;;;;;;;;/h4-11H,1-3H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28);;;;;;;;/q;8*+1/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1 |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| agonist |
Agonists_model: Agonist model (Evaluation set) |
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Evaluation set) |