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:460345-16-8
Name:1-Hexyl-3-methylimidazolium trifluoromethanesulfonate
Description:
Labels:eval
CAS:460345-16-8
InChi Code:InChI=1S/C10H19N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-10H,3-7H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.007342438

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