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A collection of molecular formula databases for HERMES

  • Identification data

    Identifier: PC:4135
  • Authors:

    Giné Bertomeu, Roger
  • Others:

    Subject matter: Enginyeria
    Access rights: info:eu-repo/semantics/openAccess
    Researcher identifier: 0000-0003-0288-9619
    Published by (editorial): Universitat Rovira i Virgili (URV)
    Related publications: Giné, R., Capellades, J., Badia, J. M., Vughs, D., Schwaiger-Haber, M., Alexandrov, T., Vinaixa, M., Brunner, A. M., Patti, G. J., & Yanes, O. (2021). HERMES: A molecular-formula-oriented method to target the metabolome. Nature Methods, 18(11), 1370-1376. https://doi.org/10.1038/s41592-021-01307-z
    Abstract: A compilation of different molecule databases ready to be used in HERMES. We have compiled different open-access DBs and adapted their format to the HERMES requisite columns. Since all databases share the "Name" and "MolecularFormula" columns, merges between databases can be easily generated.
    Departament: Enginyeria Electrònica, Elèctrica i Automàtica
    DOI: 10.5281/zenodo.5025560
    Document type: info:eu-repo/semantics/other
    Related publication's DOI: 10.1038/s41592-021-01307-z
    Repository ingest date: 2021-06-24
    Author: Giné Bertomeu, Roger
    Keywords: Metabolomics, Exposomics, HERMES, Natural Products Database
    Research group: Metabolomics Interdisciplary Laboratory
    Dataset publication year: 2021
    Dataset title: A collection of molecular formula databases for HERMES
  • Keywords:

    Enginyeria
    Metabolomics, Exposomics, HERMES, Natural Products Database
  • Documents:

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