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: | 141-94-6 | |
|---|---|---|
| Name: | Hexetidine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 141-94-6 | |
| InChi Code: | InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.045529049 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |