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:105-34-0
Name:Methyl cyanoacetate
Description:
Labels:eval
CAS:105-34-0
InChi Code:InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.004151655

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