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: | 56375-79-2 | |
|---|---|---|
| Name: | N,N-Dibutyl-N-methylbutan-1-aminium chloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 56375-79-2 | |
| InChi Code: | InChI=1S/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.007832489 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |