Isotope Enumerator Web GUI (isoenum-webgui)

Isotope Enumerator Web GUI

isoenum-webgui provides Flask-based web user interface that uses isoenum package to generate accurate InChI (International Chemical Identifier) for NMR metabolite features based on standard NMR experimental descriptions (currently 1D-1H and 1D-CHSQC) in order to improve data reusability of metabolomics data

isoenum @ GitHub
isoenum @ PyPI
isoenum @ ReadTheDocs

Content Type OER
Content Link
Content Status publish
Number of Comments No Comments
Date Published August 14, 2019
Content Tags Bioinformatics, Cheminformatics, Content type, Curricular Material, Isotopologues, Software, Working Group