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:219947-94-1
Name:1-Methyl-3-tetradecylimidazolium hexafluorophosphate
Description:
Labels:eval
CAS:219947-94-1
InChi Code:InChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.017112324

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