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: | 103639-04-9 | |
|---|---|---|
| Name: | Ondansetron hydrochloride dihydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 103639-04-9 | |
| InChi Code: | InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.364718745 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |