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:472-66-2
Name:2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
Description:
Labels:eval
CAS:472-66-2
InChi Code:InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.018783192

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