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Mining hydroformylation in complex reaction network via graph theory

Data science is introduced to identify the reactant, product, and reaction path in the chemical reaction network. Cobalt catalyzed hydroformylation is investigated where the reaction network is built via first principles calculations. The closeness centrality and high frequency node are found to be...

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Detalles Bibliográficos
Autores principales: Takahashi, Keisuke, Satoshi, Maeda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036754/
https://www.ncbi.nlm.nih.gov/pubmed/35479801
http://dx.doi.org/10.1039/d1ra03395f

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