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:4904-61-4
Name:1,5,9-Cyclododecatriene
Description:
Labels:training
CAS:4904-61-4
InChi Code:InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.010044817

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