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: | 154323-57-6 | |
|---|---|---|
| Name: | Almotriptan | |
| Description: | ||
| Labels: | eval | |
| CAS: | 154323-57-6 | |
| InChi Code: | InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.047760146 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |