Uncategorized programs for MS-based metabolomic analysis.

Credential…
Desktop

Credential Features

A powerful platform to discriminate biological features from the various noise…

A powerful platform to discriminate biological features from the various noise sources prevalent in untargeted metabolomic data. The process is experimentally straightforward and can be easily…

Metabomxtr
Desktop

Metabomxtr

Developed to facilitate mixture-model analysis of non-targeted metabolomics…

Developed to facilitate mixture-model analysis of non-targeted metabolomics data in which only a portion of samples have quantifiable abundance for certain metabolites.

BiGGR
Desktop

BiGGR

A package that provides an interface to simulate metabolic reconstruction from…

A package that provides an interface to simulate metabolic reconstruction from the BiGG database and other metabolic reconstruction databases. BiGGR facilitates flux balance analysis (FBA) and the…

RMassBank
Desktop

RMassBank

Processes tandem MS files and builds MassBank records. RMassBank’s functions…

Processes tandem MS files and builds MassBank records. RMassBank’s functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS…

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