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:362043-46-7
Name:1-Decyl-3-methylimidazolium hexafluorophosphate
Description:
Labels:eval
CAS:362043-46-7
InChi Code:InChI=1S/C14H27N2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16/h12-14H,3-11H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.017697696

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