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:55-18-5
Name:N-Nitrosodiethylamine
Description:
Labels:training
CAS:55-18-5
InChi Code:InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.005090768

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