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: | 112-03-8 | |
|---|---|---|
| Name: | N,N,N-Trimethyloctadecan-1-aminium chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 112-03-8 | |
| InChi Code: | InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.026414475 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |