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:57966-95-7
Name:Cymoxanil
Description:
Labels:training
CAS:57966-95-7
InChi Code:InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.008237368

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