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:845835-03-2
Name:1-Butyl-3-methylpyridinium hexafluorophosphate
Description:
Labels:eval
CAS:845835-03-2
InChi Code:InChI=1S/C10H16N/c1-3-4-7-11-8-5-6-10(2)9-11/h5-6,8-9H,3-4,7H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.038322203

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