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:404001-52-1
Name:1-Dodecyl-3-methylimidazolium trifluoromethanesulfonate
Description:
Labels:eval
CAS:404001-52-1
InChi Code:InChI=1S/C16H31N2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18/h14-16H,3-13H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.01580118

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