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

DOI10.5281/zenodo.3472781Zenodo3472781MaRDI QIDQ6705534FDOQ6705534

Dataset published at Zenodo repository.

Emma Schymanski

Publication date: 4 October 2019

Copyright license: Creative Commons Attribution 4.0 International

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

This page was built for dataset: MetFrag Local CSV: CompTox (7 March 2019 release) Wastewater MetaData File