MEMO: Mass Spectrometry-Based Sample Vectorization to Explore Chemodiverse Datasets

In natural products research, chemodiverse extracts coming from multiple organisms are explored for novel bioactive molecules, sometimes over extended periods. Samples are usually analyzed by liquid chromatography coupled with fragmentation mass spectrometry to acquire informative mass spectral ense...

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Bibliographic Details
Published in:Frontiers in Bioinformatics
Main Authors: Arnaud Gaudry, Florian Huber, Louis-Félix Nothias, Sylvian Cretton, Marcel Kaiser, Jean-Luc Wolfender, Pierre-Marie Allard
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-04-01
Subjects:
computational metabolomics
mass spectrometry
vectorization
natural products
drug discovery
Online Access:https://www.frontiersin.org/articles/10.3389/fbinf.2022.842964/full

Internet

https://www.frontiersin.org/articles/10.3389/fbinf.2022.842964/full

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