Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 103628-46-2 | |
|---|---|---|
| Name: | Sumatriptan | |
| Description: | ||
| Labels: | eval | |
| CAS: | 103628-46-2 | |
| InChi Code: | InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.037070458 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |