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Nat Methods ; 17(9): 901-904, 2020 09.
Article in English | MEDLINE | ID: mdl-32807955

ABSTRACT

We present ReDU ( https://redu.ucsd.edu/ ), a system for metadata capture of public mass spectrometry-based metabolomics data, with validated controlled vocabularies. Systematic capture of knowledge enables the reanalysis of public data and/or co-analysis of one's own data. ReDU enables multiple types of analyses, including finding chemicals and associated metadata, comparing the shared and different chemicals between groups of samples, and metadata-filtered, repository-scale molecular networking.


Subject(s)
Databases, Chemical , Mass Spectrometry , Metabolomics/methods , Software , Metadata , Models, Chemical
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