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

Cluster Analysis Extraterrestrial Environment Ice / analysis Spectrophotometry, Infrared

Journal

Analytical chemistry
ISSN: 1520-6882
Titre abrégé: Anal Chem
Pays: United States
ID NLM: 0370536

Informations de publication

Date de publication:
18 Oct 2022
Historique:
pubmed: 10 10 2022
medline: 20 10 2022
entrez: 9 10 2022
Statut: ppublish

Résumé

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

Identifiants

DOI: 10.1021/acs.analchem.2c01271 PMID: 36209417 PMC: PMC9583070
pubmed: 36209417
doi: 10.1021/acs.analchem.2c01271
pmc: PMC9583070
doi:

Substances chimiques

Ice 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

14135-14142

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Auteurs

Alexander Ruf (A)

Laboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM), Université Aix-Marseille, CNRS, 13013 Marseille, France.
Department of Chemistry and Pharmacy, Ludwig-Maximilians-University, 81377 Munich, Germany.
Excellence Cluster ORIGINS, Boltzmannstraße 2, 85748 Garching, Germany.
ORCID: 0000-0002-0383-4292

Grégoire Danger (G)

Laboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM), Université Aix-Marseille, CNRS, 13013 Marseille, France.
Aix-Marseille Université, CNRS, CNES, LAM, 13013 Marseille, France.
Institut Universitaire de France (IUF), 75231 Paris, France.

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Classifications MeSH

questionsmedicales.fr › Environnement et santé publique › Santé publique › Méthodes épidémiologiques › Statistiques comme sujet › Analyse de regroupements › Network Analysis Reveals Spatial Clustering...
questionsmedicales.fr › Phénomènes biologiques › Phénomènes écologiques et environnementaux › Environnement extraterrestre › Network Analysis Reveals Spatial Clustering...
questionsmedicales.fr › Environnement et santé publique › Environnement › Glace › Network Analysis Reveals Spatial Clustering...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Analyse spectrale › Spectrophotométrie › Spectrophotométrie IR › Network Analysis Reveals Spatial Clustering...