Automatic mapping of atoms across both simple and complex chemical reactions

Mapping atoms across chemical reactions is important for substructure searches, automatic extraction of reaction rules, identification of metabolic pathways, and more. Unfortunately, the existing mapping algorithms can deal adequately only with relatively simple reactions but not those in which expe...

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Detalles Bibliográficos
Autores principales: Jaworski, Wojciech, Szymkuć, Sara, Mikulak-Klucznik, Barbara, Piecuch, Krzysztof, Klucznik, Tomasz, Kaźmierowski, Michał, Rydzewski, Jan, Gambin, Anna, Grzybowski, Bartosz A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6441094/
https://www.ncbi.nlm.nih.gov/pubmed/30926819
http://dx.doi.org/10.1038/s41467-019-09440-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6441094/
https://www.ncbi.nlm.nih.gov/pubmed/30926819
http://dx.doi.org/10.1038/s41467-019-09440-2

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