S0 | SUSDAT | Merged NORMAN Suspect List: SusDat

Description

This is the collection associated with list S0 SUSDAT on the NORMAN Suspect List Exchange. UPDATED Nov 20, 2019 with InChIKey correction to Nov 1 version including new fragmentation information from Reza. DTXSIDs did not change (one truncated InChIKey fixed only) https://www.norman-network.com/nds/SLE/ and https://www.norman-network.com/nds/susdat/ S0 SUSDAT Merged NORMAN Suspect List: SusDat Interactive Data table (csv of latest version included in dataset here) susdat_2019-11-01-update4 XLSX and CSV versions are the original files NORMANSusDat_20Nov2019.csv  is the corresponding MetFrag local CSV file The InChIKey and DTXSID files support suspect screening via MetFrag and CompTox (https://comptox.epa.gov/dashboard/chemical_lists/susdat) A merged list of >68,000 structures from suspect lists. See interactive version. Compiled by Reza Aalizadeh, University of Athens, including RTI and toxicity values, support by Nikiforos Alygizakis, EI. Work in progress ... please report any issues!

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-3548461

Tags

  • suspect-screening

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