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:53939-28-9
Name:(Z)-11-Hexadecenal
Description:
Labels:training
CAS:53939-28-9
InChi Code:InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.005070984

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