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:22839-47-0
Name:Aspartame
Description:
Labels:training
CAS:22839-47-0
InChi Code:InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.100144348

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