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: | 132907-72-3 | |
|---|---|---|
| Name: | Ramosetron hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 132907-72-3 | |
| InChi Code: | InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.216218547 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |