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: | 23182-46-9 | |
|---|---|---|
| Name: | Pipethanate ethylbromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 23182-46-9 | |
| InChi Code: | InChI=1S/C23H30NO3/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.054116613 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |