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:111-78-4
Name:1,5-Cyclooctadiene
Description:
Labels:eval
CAS:111-78-4
InChi Code:InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.004318167

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