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:108-59-8
Name:Dimethyl malonate
Description:
Labels:training
CAS:108-59-8
InChi Code:InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003615677

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