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:5437-45-6
Name:Benzyl bromoacetate
Description:
Labels:training
CAS:5437-45-6
InChi Code:InChI=1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.01199071

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