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: | 4455-26-9 | |
|---|---|---|
| Name: | N-Methyldioctylamine | |
| Description: | ||
| Labels: | training | |
| CAS: | 4455-26-9 | |
| InChi Code: | InChI=1S/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h4-17H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.007193997 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |