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
Andrey Smelter, Hunter N.B. Moseley Revision
isoenum @ GitHub
isoenum @ PyPI
isoenum @ ReadTheDocs
| Information | |
|---|---|
| Content Type | OER |
| Content Link | https://isoenum-webgui.readthedocs.io/en/latest/ |
| License | BSD license. |
| Content Status | publish |
| Number of Comments | No Comments |
| Date Published | August 14, 2019 |
| Content Tags | Isotopologues, Metabolomics, Software |
