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Network Analysis Reveals Spatial Clustering and Annotation of Complex Chemical Spaces: Application to Astrochemistry

[Image: see text] How are molecules linked to each other in complex systems? In a proof-of-concept study, we have developed the method mol2net (https://zenodo.org/record/7025094) to generate and analyze the molecular network of complex astrochemical data (from high-resolution Orbitrap MS(1) analysis...

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Detalles Bibliográficos
Autores principales: Ruf, Alexander, Danger, Grégoire
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9583070/
https://www.ncbi.nlm.nih.gov/pubmed/36209417
http://dx.doi.org/10.1021/acs.analchem.2c01271