Snapshot of the Pack: Pack #4 - Metabolome completion and metabolomics

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Pack Details

Title Pack #4 - Metabolome completion and metabolomics
Items 2
Created by Thomas Duigou
Created at 16:36:44 on Friday, 30 June 2017
Last updated at 10:22:41 on Tuesday, 19 December 2017

Description

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. https://doi.org/10.1186/s13321-017-0252-9

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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External items (1)

  • Metabolomics-data - https://figshare.com/s/30b86780898cd6b80f11
    Alternate link: none
    Added to pack by: Thomas Duigou (30/06/2017 @ 18:03:55)
    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.

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