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:80-05-7
Name:Bisphenol A
Description:
Labels:training
CAS:80-05-7
InChi Code:InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Training set)