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:90-42-6
Name:1,1'-Bi(cyclohexyl)-2-one
Description:
Labels:eval
CAS:90-42-6
InChi Code:InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.017998698

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