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:79-24-3
Name:Nitroethane
Description:
Labels:training
CAS:79-24-3
InChi Code:InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.00825316

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