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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| 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 |