文章基本信息

标题：Technical implications of new IUPAC elements in cheminformatics
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作者：John W. Mayfield ; Roger A. Sayle
期刊名称：Journal of Cheminformatics
印刷版ISSN：1758-2946
电子版ISSN：1758-2946
出版年度：2017
卷号：9
期号：1
页码：10
DOI：10.1186/s13321-017-0196-0
语种：English
出版社：BioMed Central
摘要：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.
关键词：IUPAC ; Elements ; Periodic ; Cheminformatics ; SMARTS