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: | 115-63-9 | |
|---|---|---|
| Name: | Hexocyclium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 115-63-9 | |
| InChi Code: | InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.077660224 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |