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:216300-12-8
Name:1-Methyl-3-propylimidazolium hexafluorophosphate
Description:
Labels:eval
CAS:216300-12-8
InChi Code:InChI=1S/C7H13N2/c1-3-4-9-6-5-8(2)7-9/h5-7H,3-4H2,1-2H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.010729651

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