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

Downloaded from myExperiment website

Snapshot generated at 21:46:03 on Sunday, 29 June 2025

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 ).


Summary of Pack Items (2)


Downloaded Items (1)


Not Downloaded Items (1)

Packs within this pack (0)

None

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.

Items that can be viewed, but not downloaded (0)

None

Items that cannot be viewed (0)

None