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Updated: Mar 6, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Technical implications of new IUPAC elements in cheminformatics
John W Mayfield1, Roger A Sayle1
1NextMove Software Ltd, Innovation Centre (Unit 23), Science Park, Cambridge, CB4 0EY UK.
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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