InChI, the IUPAC International Chemical Identifier.

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Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D

InChI, the IUPAC International Chemical Identifier.

J Cheminform. 2015 May 30;7:23. doi: 10.1186/s13321-015-0068-4. eCollection 2015.

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26136848 [ View in PubMed

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Abstract

This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.