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:144-39-8
Name:3,7-Dimethylocta-1,6-dien-3-yl propanoate
Description:
Labels:eval
CAS:144-39-8
InChi Code:InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.002393611

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