InchI Isotopologue and Isotopomer Proposal

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posted on 2018-09-30, 20:20 authored by Hunter MoseleyHunter Moseley, Reza SalekReza Salek, Masanori Arita, Emma SchymanskiEmma Schymanski, Philippe Rocca-SerraPhilippe Rocca-Serra

Proposal for an extension to the IUPAC International Chemical Identifier (InChI) that supports the representation of isotopologues, isotopomers, partial isotopomers, and isotopologue fragments.

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InChI isotopologue isotopomer Cheminformatics

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