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:13893-53-3
Name:2-Amino-2,3-dimethylbutanenitrile
Description:
Labels:eval
CAS:13893-53-3
InChi Code:InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.003390656

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