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Technical implications of new IUPAC elements in cheminformatics

Journal of Cheminformatics (2017) 9(1) 1-3
DOI: 10.1186/s13321-017-0196-0
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Abstract

The symbols for the new IUPAC elements named in November 2016 can introduce subtle ambiguities within cheminformatics software. The ambiguities are described and demonstrated by highlighting inconsistencies between software when handling existing element symbols.

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Mayfield, J. W., & Sayle, R. A. (2017). Technical implications of new IUPAC elements in cheminformatics. Journal of Cheminformatics, 9(1), 1–3. https://doi.org/10.1186/s13321-017-0196-0

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