File(s) stored somewhere else

https://gaftp.epa.gov/COMPTOX/Sustainable_Chemistry_Data/Chemistry_Dashboard/MetFrag_metadata_files/CompTox_17March2019_SelectMetaData.csv

Please note: Linked content is NOT stored on The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure and we can't guarantee its availability, quality, security or accept any liability.

CompTox Chemicals Dashboard Metadata Files for Integration with MetFrag

dataset

posted on 2019-07-15, 12:39 authored by EPA's National Center for Computational Toxicology

The integration of metadata files from the CompTox Chemicals Dashboard with the online version of the MetFrag in silico fragmenter has previously been discussed in the paper ““MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies” by McEachran et al. (link to https://doi.org/10.1186/s13321-018-0299-2). For local installations of MetFrag we have provided here downloadable versions of these metadata files.

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Keywords

NCCT National Center for Computational Toxicology CompTox Chemicals Dashboard Chemistry Data MS-Ready Non-Targeted Analysis Toxicology

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CC0