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: | , , , , , , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2019
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/18d4bee607ab48129263f93d8bb35c5f |
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| Sumario: | 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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