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:97-16-5
Name:2,4-Dichlorophenyl benzenesulfonate
Description:
Labels:eval
CAS:97-16-5
InChi Code:InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)