Pack: Pack #4 - Metabolome completion and metabolomics

Created: 2017-06-30 16:36:44      Last updated: 2017-06-30 18:04:28
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Title: Pack #4 - Metabolome completion and metabolomics


Information Description

This pack provides part of the supporting material for M. Koch et. al., Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0. bioRxiv, 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 ... 28 days ago (2017-06-30 18:01:56)

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  • External item

    External: Metabolomics-data - (https://figshare.com/s/30b86780898cd6b80f11)

    Comment

    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 ... 28 days ago (2017-06-30 18:03:55)



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Non-Information Resource URI: http://www.myexperiment.org/packs/732


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