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This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
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Stephen R. Heller
Alan D. Mcnaught
И. В. Плетнев
Journal of Cheminformatics
National Institute of Standards and Technology
Lomonosov Moscow State University
Material Measurement Laboratory
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Heller et al. (Fri,) studied this question.
www.synapsesocial.com/papers/69d77eca3fae90fd6048f741 — DOI: https://doi.org/10.1186/s13321-015-0068-4