Automatic mapping of atoms across both simple and complex chemical reactions

Mapping atoms across chemical reactions represents a challenging computational task. Here the authors show via a combination of graph theory and combinatorics with expert chemical knowledge the possibility to map very complex organic reactions.

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Autores principales: Wojciech Jaworski, Sara Szymkuć, Barbara Mikulak-Klucznik, Krzysztof Piecuch, Tomasz Klucznik, Michał Kaźmierowski, Jan Rydzewski, Anna Gambin, Bartosz A. Grzybowski
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/18d4bee607ab48129263f93d8bb35c5f
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