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:81-82-3
Name:Coumachlor
Description:
Labels:eval
CAS:81-82-3
InChi Code:InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,17H,10H2,1H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)