10967/234 - QDB Compounds

QsarDB Repository

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:5137-55-3
Name:Methyltrioctylammonium chloride
Description:
Labels:training
CAS:5137-55-3
InChi Code:InChI=1S/C25H54N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.012423745

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)