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: | 68959-20-6 | |
|---|---|---|
| Name: | Disiquonium chloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 68959-20-6 | |
| InChi Code: | InChI=1S/C27H60NO3Si/c1-7-9-11-13-15-17-19-21-24-28(3,25-22-20-18-16-14-12-10-8-2)26-23-27-32(29-4,30-5)31-6/h7-27H2,1-6H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.015618982 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |