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:23422-53-9
Name:Formetanate hydrochloride
Description:
Labels:training
CAS:23422-53-9
InChi Code:InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)/b13-8+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.021671787

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