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BUDDY: molecular formula discovery via bottom-up MS/MS interrogation

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 20 Jun 2022Publisher:Zenodo
Authors: Xing, Shipei; Shen, Sam; Xu, Banghua; Huan, Tao;

doi: 10.5281/zenodo.7735295 , 10.5281/zenodo.6581870 , 10.5281/zenodo.7735294 , 10.5281/zenodo.6581871

BUDDY: molecular formula discovery via bottom-up MS/MS interrogation

Abstract

BUDDY is an open-source cheminformatic software platform developed for MS-based metabolomics research, capitalizing on bottom-up MS/MS interrogation and experiment-specific global peak annotation. Bottom-up MS/MS interrogation aims to determine molecular formulae for all metabolic features with significance estimation. Experiment-specific global peak annotation is achieved to select the optimal molecular network considering both individual peak annotations and peak interrelationships. Check out the GitHub here (https://github.com/Philipbear/BUDDY_Metabolomics).

Related Organizations
Keywords

molecular formula, cheminformatics, bioinformatics, metabolomics, mass spectrometry

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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