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...

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Detalles Bibliográficos
Autores principales: Rajan, Kohulan, Zielesny, Achim, Steinbeck, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Research Article
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

Internet

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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