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:67874-72-0
Name:2-(2-Methylbutan-2-yl)cyclohexyl acetate
Description:
Labels:eval
CAS:67874-72-0
InChi Code:InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.007765025

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