Skip to main content

      Campus de l'Alimentació          Barcelona Knowledge Campus          Health Universitat de Barcelona Campus     INSA        Consolider       pdf Pamphlet of group                                                                                                                                                      

           

Computational tools development

In collaboration with the group at the University of Barcelona and the UPC (Polytechnic University of Catalonia (Ciber BBN), several computing tools within the R enviroment have been developed for improvement bioinformatic data processing.

- A new strategy based on the implementation of the known methods under the name PEAKS aggregation in order to solve the problem of high collinearities between variables present in the different ions from the same molecule. This application was published in the journal Analytical Chemistry:

Fernández-Albert F, Llorach R, Andres-Lacueva C, Perera-Lluna A. Peak aggregation as an innovative strategy for improving the predictive power of LC-MS metabolomic profiles. Anal Chem. 2014;86(5):2320-5.

  

- The main objective of MAIT package is to provide a set of tools to perform processing data from metabolomics experiments on a scheduled basis. This tool is available through the corporate website of the Polytechnic University of Catalonia (http://sisbio.recerca.upc.edu/software-and-downloads/metabolite-automatic-identification-toolkit/)  and was published in the journal Bioinformatics:

Fernández-Albert F, Llorach R, Andrés-Lacueva C, Perera A. An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit). Bioinformatics. 2014;30(13):1937-1939.

  

- INTCOR is an R package focused on eliminating analytical drift as well as data normalization from metabolomics experiments. This application is available via the corporate website of the Polytechnic University of Catalonia (http://b2slab.upc.edu/software-and-downloads/intensity-drift-correction/) and was published in the journal Bioinformatics:

Fernández-Albert F, Llorach R, Garcia-Aloy M, Ziyatdinov A, Andres-Lacueva C, Perera A. Intensity drift removal in LC/MS metabolomics by common variance compensation. Bioinformatics. 2014 [In Press].

   

 - HCOR is an R package focused on correcting the time of data from metabolomics experiments LC/MS. This application is available via the corporate website of the Polytechnic University of Catalonia (http://b2slab.upc.edu/software-and-downloads/retention-time-drift-correction/) and is being published.

  

¡Busquem Voluntaris! 

Gener 2016

    

Open call: postdoctoral grants BP-B 

    

NEWS FROM 2014:

Computational tools development