InChI isotopologue and isotopomer specifications

InChI isotopologue and isotopomer specifications

This work presents a proposed extension to the International Union of Pure and Applied Chemistry (IUPAC) International Chemical Identifier (InChI) standard that allows the representation of isotopically-resolved chemical entities at varying levels of ambiguity in isotope location. This extension inc...

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Bibliographic Details
Main Authors:	Moseley, HNB, Rocca-Serra, P, Salek, RM, Arita, M, Schymanski, EL
Format:	Journal article
Language:	English
Published:	BioMed Central 2024

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