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:3613-30-7
Name:7-Methoxy-3,7-dimethyloctanal
Description:
Labels:eval
CAS:3613-30-7
InChi Code:InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003179507

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