Chemical characteristics vectors map the chemical space of natural biomes from untargeted mass spectrometry data

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Authors: Pilleriin Peets, Aristeidis Litos, Kai Dührkop, Daniel R. Garza, Justin J. J. van der Hooft, Sebastian Böcker, Bas E. Dutilh

Journal title: Journal of Cheminformatics

Journal number: 17

Journal publisher: Chemistry Central

Published year: 2025

DOI identifier: 10.1186/s13321-025-01031-2

ISSN: 1758-2946