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:3252-43-5
Name:Dibromoacetonitrile
Description:
Labels:training
CAS:3252-43-5
InChi Code:InChI=1S/C2HBr2N/c3-2(4)1-5/h2H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003155216

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