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:625-28-5
Name:Isovaleronitrile
Description:
Labels:eval
CAS:625-28-5
InChi Code:InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.002551273

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