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:797789-00-5
Name:1-Hexylpyridinium hexafluorophosphate
Description:
Labels:eval
CAS:797789-00-5
InChi Code:InChI=1S/C11H18N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.013297311

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