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:70356-09-1
Name:1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Description:
Labels:eval
CAS:70356-09-1
InChi Code:InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.265470501

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