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: | 135729-62-3 | |
|---|---|---|
| Name: | Palonosetron hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 135729-62-3 | |
| InChi Code: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.274232144 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |