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:791-35-5
Name:Chlophedianol
Description:
Labels:eval
CAS:791-35-5
InChi Code:InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)