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: | 3033-77-0 | |
|---|---|---|
| Name: | N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 3033-77-0 | |
| InChi Code: | InChI=1S/C6H14NO/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.011694007 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |