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:100-29-8
Name:1-Ethoxy-4-nitrobenzene
Description:
Labels:eval
CAS:100-29-8
InChi Code:InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.118042364

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