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:21145-77-7
Name:6-Acetyl-1,1,2,4,4,7-hexamethyltetralin
Description:
Labels:training
CAS:21145-77-7
InChi Code:InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.283861645

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