LCSB Environmental Cheminformatics Group
Published August 9, 2019 | Version 8Aug2019
Dataset Open

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

Creators

  • 1. LCSB, Uni Luxembourg

Contributors

  • 1. US EPA
  • 2. URV

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 Smoking MetaData file contains the following fields, in addition to the regular (basic) CompTox data fields:

- PubMedNeuro: the LITMINEDNEURO list with total PubMed reference counts in the column

- CIGARETTES, INDOORCT16, SRM2585DUST, SLTCHEMDB, THSMOKE as suspect lists.

First release (July 2019, not archived) contained a smaller subset of the SRM2585DUST list.

Files

CompTox_07March19_SmokingMetaData.csv

Files (309.9 MB)

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md5:b10a2e8254a0f61fbf53636f2aee76b6
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Additional details

Related works

Is supplement to
https://msbi.ipb-halle.de/MetFrag/ (URL)
https://comptox.epa.gov/dashboard/ (URL)
10.23645/epacomptox.7525199.v2 (DOI)