title: Technical implications of new IUPAC elements in cheminformatics.
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.
authors.affiliation: NextMove Software Ltd, Innovation Centre (Unit 23), Science Park, Cambridge, CB4 0EY UK.
authors.forename: John W
authors.initials: JW
authors.lastname: Mayfield
authors.affiliation: NextMove Software Ltd, Innovation Centre (Unit 23), Science Park, Cambridge, CB4 0EY UK.
authors.forename: Roger A
authors.initials: RA
authors.lastname: Sayle
keywords: Cheminformatics; Elements; IUPAC; Periodic; SMARTS