Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e1896 | |
|---|---|---|
| Name: | N,N-Dimethyltryptamine fumarate | |
| Description: | ||
| Labels: | ||
| CAS: | 68677-26-9 | |
| InChi Code: | InChI=1S/C12H16N2.C4H4O4/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;5-3(6)1-2-4(7)8/h3-6,9,13H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Agonists_model: Agonist model (Evaluation set) |
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
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 |
| inactive |
MultiClass_model: Multi-Class model (Evaluation set) |