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:81741-28-8
Name:Tributyltetradecylphosphonium chloride
Description:
Labels:training
CAS:81741-28-8
InChi Code:InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.007486326

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