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:37609-25-9
Name:5-Cyclohexadecen-1-one
Description:
Labels:eval
CAS:37609-25-9
InChi Code:InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2/b8-6-

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.094207788

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