Chemometric analysis programs for MS-based metabolomic analysis.

speaq
Desktop

speaq spectrum alignment and quantitation

A suite of informatics tools for the quantitative analysis of nuclear magnetic…

A suite of informatics tools for the quantitative analysis of nuclear magnetic resonance (NMR) metabolomic profile data. Speaq aligns a target spectrum to the reference spectrum in a top-down fashion…

MetaboAnalyst
Web

MetaboAnalyst

Provides a user-friendly, web-based analytical pipeline for high-throughput…

Provides a user-friendly, web-based analytical pipeline for high-throughput metabolomics studies. In particular, MetaboAnalyst aims to offer a variety of commonly used procedures for metabolomic data…

MUMA
Desktop

MUMA Metabolomic Univariate and Multivariate Analysis

Provides guidelines for the whole process of metabolomic data interpretation,…

Provides guidelines for the whole process of metabolomic data interpretation, from data pre-processing, to dataset exploration and visualization, to identification of potentially interesting…

dataChord…
Desktop

dataChord Spectrum Miner

Integrates NMR processing and visualization with mathematics and statistical…

Integrates NMR processing and visualization with mathematics and statistical analysis of data.

KnowItAll…
Desktop

KnowItAll Informatics System

Covers the full range of steps from raw data processing to biomarker…

Covers the full range of steps from raw data processing to biomarker identification.

Mnova NMR
Desktop

Mnova NMR

This vendor independent NMR software is both for the expert user requiring…

This vendor independent NMR software is both for the expert user requiring advanced functionality and for organic or synthetic chemists focused on routine processing with maximum productivity.

AMIX
Desktop

AMIX

Provides a collection of powerful tools that enable statistical and…

Provides a collection of powerful tools that enable statistical and spectroscopic analyses of your NMR data.

Automics
Desktop

Automics

A highly integrated platform for NMR-based metabonomics or metabolomics…

A highly integrated platform for NMR-based metabonomics or metabolomics spectral processing and data analysis.

CMC-assist
Desktop

CMC-assist

Extracts information from complex NMR data, conducts consistency and…

Extracts information from complex NMR data, conducts consistency and concentration assessments and generates detailed reports for direct transfer to publications, patents and lab journals.

Metabolab
Desktop

Metabolab

A MATLAB based software package that facilitates NMR data processing by…

A MATLAB based software package that facilitates NMR data processing by providing automated algorithms for processing series of spectra in a reproducible fashion. A graphical user interface provides…

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