Technical implications of new IUPAC elements in cheminformatics
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DOI: 10.1186/s13321-017-0196-0
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. read more here.
Keywords: elements cheminformatics; implications new; cheminformatics technical; technical implications ... See more keywords