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

Information
Content Type OER
Content Link https://isoenum-webgui.readthedocs.io/en/latest/
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