10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:15619-48-4
Name:1-Benzylquinolinium chloride
Description:
Labels:training
CAS:15619-48-4
InChi Code:InChI=1S/C16H14N/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2/q+1

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Training set)