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: | 61129-30-4 | |
|---|---|---|
| Name: | Zimeldine dihydrochloride hydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 61129-30-4 | |
| InChi Code: | InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.054755302 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |