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:56-53-1
Name:Diethylstilbestrol
Description:
Labels:training
CAS:56-53-1
InChi Code:InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Training set)