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Our projects cover the various stages in a bioinformatics and metabolomics pipeline.

For the software developments we use different methods, such as the statistics environment R and various Bioconductor packages. Where applicable, we create and such packages for the wider scientific community. Other projects use Java, and the possibility to add user friendly web based interfaces. Finally, workflow system such as the Taverna project allow to integrate heterogenous modules into a comprehensive pipeline.

Signal Processing

The first step in a metabolomics data processing pipeline is the processing of signals, to reduce complex chromatographic data into peak lists, and align several peak lists from different samples into a data matrix. We are co-maintaining several successful Bioconductor packages... 

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Metabolite Identification

The statistical analysis of Metabolomics experiments will reveal a number of "interesting" metabolites. For any further biological interpretation, it is a requirement to identify their structure. Mass spectrometry is a key technology for the identification of small molecules. Today, the identification of metabolites from mass spectra relies on the comparison with authentic compounds or reference spectra...

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This page was last modified on 11.02.2013.

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