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:2436-90-0
Name:3,7-Dimethylocta-1,6-diene
Description:
Labels:eval
CAS:2436-90-0
InChi Code:InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.001622844

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