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Technical implications of new IUPAC elements in cheminformatics
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.
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5307489/ https://www.ncbi.nlm.nih.gov/pubmed/28286573 http://dx.doi.org/10.1186/s13321-017-0196-0 |