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 |
| Author(s) | Hunter Moseley, Andrey Smelter |
| Content Link | https://isoenum-webgui.readthedocs.io/en/latest/ |
| Content Status | publish |
| Date Published | August 14, 2019 |
| Content Tags | Cheminformatics, Classroom Material, Content type, Isotopologues |
