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S73 | METXBIODB | Metabolite Reaction Database from BioTransformer - MaRDI portal

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S73 | METXBIODB | Metabolite Reaction Database from BioTransformer (Q6705704)

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Dataset published at Zenodo repository.
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English
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
Dataset published at Zenodo repository.

    Statements

    instance of
    data set
    0 references
    description
    This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioTransformer (http://biotransformer.ca/) by Yannick Djoumbou-Feunang, David S. Wishart and colleagues, for addition to the PubChem Transformations section. Change logs and version tracking at the ECI GitLab site. Please cite the BioTransformer article when using this set: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5 NOTE: This deposition is work in progress ... Change log: 13 Oct: added InChIKey file. 16 Oct: updated substances with missing CIDs and transformations. 5/11 many bug fixes finally committed, added DTXSIDs. 22/6/2023 adjusted one CID that changed upon PubChem standardization. 15 Nov 2023: fixed typo in reaction description. 26 Feb 2024: corrected name for CID 65564. 6 Aug 2024: fixed many triazine synonyms.
    0 references
    publication date
    6 August 2024
    0 references
    author
    Emma Schymanski
    0 references
    Jeff Zhang
    0 references
    David S. Wishart
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    dataset version identifier
    NORMAN-SLE-S73.0.1.7
    0 references

    Identifiers

    Zenodo ID
    13235312
    0 references
     
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