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: | 122852-69-1 | |
|---|---|---|
| Name: | Alosetron hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 122852-69-1 | |
| InChi Code: | InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.12574694 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |