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MetFrag Local CSV: CompTox (7 March 2019 release) Wastewater MetaData File - MaRDI portal

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MetFrag Local CSV: CompTox (7 March 2019 release) Wastewater MetaData File (Q6705534)

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Dataset published at Zenodo repository.
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English
MetFrag Local CSV: CompTox (7 March 2019 release) Wastewater MetaData File
Dataset published at Zenodo repository.

    Statements

    instance of
    data set
    0 references
    description
    This is the CSV file that can be used as a local database in MetFrag (https://msbi.ipb-halle.de/MetFrag/), for those who wish to integrate this into the command line version. Note that this file is TOO LARGE to be uploaded via the web interface, this is already integrated in the web interface. This file is based off the SelectMetaData CompTox MetFrag file from the 7 March 2019 release, available from: ftp://newftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/MetFrag_metadata_files The Wastewater MetaData file contains the following fields, in addition to the regular (basic) CompTox data fields: Suspect Lists (1=presence, 0=absence): - ITNANTIBIOTIC, STOFFIDENT, REACH2017, ZINC15PHARMA and PFASMASTER Suspect Lists with scores from KEMI (see details on NORMAN-SLE and hyperlinks below): - KEMIMARKET_EXPO, KEMIMARKET_HAZ, KEMIWW_WDUIndex, KEMIWW_StpSE, KEMIWW_SEHitsOverDL
    0 references
    publication date
    4 October 2019
    0 references
    author
    Emma Schymanski
    0 references
    dataset version identifier
    WWMetaData_4Oct2019
    0 references

    Identifiers

    Zenodo ID
    3472781
    0 references
     
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