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:864283-48-7
Name:GSK232420A
Description:
Labels:training
CAS:864283-48-7
InChi Code:InChI=1S/C12H9F6N3O/c13-11(14,15)6-21(5-10(20)22)8-2-1-7(4-19)9(3-8)12(16,17)18/h1-3H,5-6H2,(H2,20,22)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Training set)