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:1118-39-4
Name:2-methyl-6-methylideneoct-7-en-2-yl acetate
Description:
Labels:eval
CAS:1118-39-4
InChi Code:InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.002231356

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