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Pathfinder—Navigating and Analyzing Chemical Reaction Networks with an Efficient Graph-Based Approach

[Image: see text] While the field of first-principles explorations into chemical reaction space has been continuously growing, the development of strategies for analyzing resulting chemical reaction networks (CRNs) is lagging behind. A CRN consists of compounds linked by reactions. Analyzing how the...

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Detalles Bibliográficos
Autores principales: Türtscher, Paul L., Reiher, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832502/
https://www.ncbi.nlm.nih.gov/pubmed/36515968
http://dx.doi.org/10.1021/acs.jcim.2c01136