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WormJam Metabolites Local CSV for MetFrag - MaRDI portal

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WormJam Metabolites Local CSV for MetFrag (Q6705528)

From MaRDI portal





Dataset published at Zenodo repository.
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English
WormJam Metabolites Local CSV for MetFrag
Dataset published at Zenodo repository.

    Statements

    instance of
    data set
    0 references
    description
    This is a local CSV file of WormJam (https://www.tandfonline.com/doi/full/10.1080/21624054.2017.1373939) for MetFrag (https://msbi.ipb-halle.de/MetFrag/). The text file provided by Michael (also part of this dataset) was modified into CSV by adding identifiers and adjusting headers for MetFrag import. This CSV file is for users wanting to integrate WormJam into MetFrag CL workflows (offline), this file will be integrated into MetFrag online; please use the file in the dropdown menu rather than uploading this one. Update 10 Sept 2019: curated truncated InChIKey, InChI entries, added missing SMILES, added DTXSIDs by InChIKey match.
    0 references
    publication date
    9 September 2019
    0 references
    author
    Michael Witting
    0 references
    Emma Schymanski
    0 references
    dataset version identifier
    WormJam_20190910
    0 references

    Identifiers

    Zenodo ID
    3403530
    0 references
     
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