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STOUT: SMILES to IUPAC names using neural machine translation
Chemical compounds can be identified through a graphical depiction, a suitable string representation, or a chemical name. A universally accepted naming scheme for chemistry was established by the International Union of Pure and Applied Chemistry (IUPAC) based on a set of rules. Due to the complexity...
Autores principales: | Rajan, Kohulan, Zielesny, Achim, Steinbeck, Christoph |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8077691/ https://www.ncbi.nlm.nih.gov/pubmed/33906675 http://dx.doi.org/10.1186/s13321-021-00512-4 |
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