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:23906-97-0
Name:Tetraoctylphosphonium bromide
Description:
Labels:eval
CAS:23906-97-0
InChi Code:InChI=1S/C32H68P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.010085017

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