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InChI Isotopologue and Isotopomer Proposal Figshare deposit of a draft 2018 proposal and acompanying slide show that resulted in an InChI Trust working group on isotopologues.  

Why is Isotopic Labeling Useful in Metabolomics? 2019-06-24 Metabolomics Workshop Introduction Slide Show

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

Isotope Enumerator Isotopic (iso) enumerator (enum) – enumerates isotopically resolved InChI (International Chemical Identifier) for metabolites. The isoenum Python package provides command-line interface that allows you to enumerate the possible isotopically-resolved InChI from one of the Chemical Table file (CTfile) formats (i.e. molfile, SDfile) used to describe chemical molecules and reactions as well as from […]