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:54914-85-1
Name:1,1'-[Ethane-1,2-diylbis(oxy)]bis(3-methylbenzene)
Description:
Labels:eval
CAS:54914-85-1
InChi Code:InChI=1S/C16H18O2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.10876416

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