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:16728-49-7
Name:3-(Octyloxy)propanenitrile
Description:
Labels:eval
CAS:16728-49-7
InChi Code:InChI=1S/C11H21NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-8,10-11H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003829349

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