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:60207-31-0
Name:Azaconazole
Description:
Labels:eval
CAS:60207-31-0
InChi Code:InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)