Difference between revisions of "Metabomatching"

 
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<newstitle> Metabomatching: Using genetic association to identify metabolites in proton NMR spectroscopy</newstitle>   
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== Metabomatching is a procedure to identify compounds from spectral features that jointly associate with genotypes.==
<teaser>
 
We invented ''Metabomatching'' as a method to identify candidate compounds from genetic associations to NMR features. In our recently published paper in <a href="http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1005839"> Plos Computational Biology </a> we extensively tested our approach on a large collection of real GWAS association results and saw better discovery of confirmed pathways than with other popular methods.
 
<date> Dec 1 </date>
 
</teaser>
 
 
 
 
 
'''''Metabomatching'' is a procedure to identify compounds from spectral features that jointly associate with genotypes.'''
 
  
 
'''Publication'''
 
'''Publication'''

Latest revision as of 13:47, 17 January 2018

Metabomatching is a procedure to identify compounds from spectral features that jointly associate with genotypes.

Publication

Metabomatching: Using genetic association to identify metabolites in proton NMR spectroscopy PLoS Comput Biol 13(12): e1005839


Software

  • The simplest method to run metabomatching is to use its implementation in the PhenoMeNal portal public.phenomenal-h2020.eu, located in the NMR section. Because the PhenoMeNal implementation is designed for ease of use, some advanced features may not be accessible. A set of test data is provided.
  • Alternatively, the metabomatching docker image can be pulled and run locally. With a working docker installation (get docker), run
    docker pull docker-registry.phenomenal-h2020.eu/phnmnl/metabomatching
    to download the metabomatching container. The download may take some time, as the container includes a full Linux OS, octave to run metabomatching, and inkscape to convert metabomatching figures from SVG to PDF. To run metabomatching on the included sample pseudospectrum, run
    docker run -i -v <absolute/path/to/my/directory>:/mm-ps metabomatching/metabomatching
    which will run metabomatching, and write results to <absolute/path/to/my/directory>. Note that on Windows, the absolute path must be formatted without using a colon, so to use the directory C:\MyDir, the path must be formatted as //c/MyDir,
  • To run metabomatching on your own pseudospectra, please refer to the documentation (PDF).


Examples

The procedure was in applied in


Questions, Comments

contact metabomatching(at)unil(dot)ch