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:116-26-7
Name:2,6,6-Trimethylcyclohexa-1,3-dienylmethanal
Description:
Labels:eval
CAS:116-26-7
InChi Code:InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.044011903

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