Pack: Pack #4 - Metabolome completion and metabolomics

Created: 2017-06-30 16:36:44      Last updated: 2017-12-19 10:22:42
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Title: Pack #4 - Metabolome completion and metabolomics

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This pack provides part of the supporting material for:

Koch M, Duigou T, Carbonell P, Faulon JL. Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0. Journal of Cheminformatics, 9:64, 2017.

The pack contains (i) the RetroPath2.0-Mods-metabolomics workflow as well as (ii) all the associated data for the metabolome completion use case (see the main text for details, section 2.4 Metabolome completion and metabolomics).

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  • Internal item

    Workflow: RetroPath2.0-Mods-metabolomics (Thomas Duigou)

    Added by Thomas Duigou ... more than 1 year ago (2017-06-30 18:01:56)


  • External item

    External: Metabolomics-data - (


    Data to be used with the RetroPath2.0-Mods-metabolomics workflow for the "Metabolome completion and metabolomics" use case:
    - Source and Rules input.
    - Pre-generated Results.

    Added by Thomas Duigou ... more than 1 year ago (2017-06-30 18:03:55)

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