10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:606-37-1
Name:1,3-Dinitronaphthalene
Description:
Labels:eval
CAS:606-37-1
InChi Code:InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.09488609

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)