S0 | SUSDAT | Merged NORMAN Suspect List: SusDat
Authors/Creators
- 1. NORMAN Network
- 2. Uni Athens
- 3. EI, Uni Athens
- 4. LCSB, Uni Luxembourg
- 5. EI
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!
Notes
Files
NORMANSusDat_20Nov2019.csv
Files
(153.8 MB)
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md5:60101110a0ba3b909323958f2c6a6237
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md5:0897b05092caaf7e7d7ee71346a83d57
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md5:801dfa76d20ba0dabf665db27536abdd
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Additional details
Related works
- Is supplement to
- https://www.norman-network.com/nds/susdat/index.php (URL)