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Chemometric analysis (MS-based metabolomic analysis)

Chemometric analysis programs for MS-based metabolomic analysis.

Metabolab
Desktop

Metabolab

Facilitates Nuclear Magnetic Resonance (NMR) data processing by providing…

Facilitates Nuclear Magnetic Resonance (NMR) data processing by providing automated algorithms for processing series of spectra in a reproducible fashion. MetaboLab provides an intuitive software for…

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…

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.

speaq
Desktop

speaq spectrum alignment and quantitation

Allows Nuclear Magnetic Resonance (NMR) spectroscopy data analysis. Speaq…

Allows Nuclear Magnetic Resonance (NMR) spectroscopy data analysis. Speaq enables raw spectra alignment and quantitation but also an analysis based on features whereby the spectra are converted to…

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.

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.

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.

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.

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