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:5435-64-3
Name:3,5,5-Trimethylhexanal
Description:
Labels:eval
CAS:5435-64-3
InChi Code:InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.001911376

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