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Technical implications of new IUPAC elements in cheminformatics

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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… Click to show full 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.

Keywords: elements cheminformatics; implications new; cheminformatics technical; technical implications; iupac elements; new iupac

Journal Title: Journal of Cheminformatics
Year Published: 2017

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