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:930-68-7
Name:2-Cyclohexen-1-one
Description:
Labels:eval
CAS:930-68-7
InChi Code:InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.020742702

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