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:112400-85-8
Name:1-Butyl-2-methylpyridinium chloride
Description:
Labels:eval
CAS:112400-85-8
InChi Code:InChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.035986018

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