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:22629-49-8
Name:Tridec-2-enenitrile
Description:
Labels:eval
CAS:22629-49-8
InChi Code:InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.002916611

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