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:255714-11-5
Name:3,7-Dimethyloct-6-en-1-yl 2-methylbut-2-enoate
Description:
Labels:eval
CAS:255714-11-5
InChi Code:InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.001351639

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