S0 | SUSDAT | Merged NORMAN Suspect List: SusDat

This is the collection associated with list S0 SUSDAT on the NORMAN Suspect List Exchange. UPDATED March 3, 2020 to include Hazard and Exposure values from Stellan Fischer, KEMI. 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 <strong>Merged NORMAN Suspect List: SusDat</strong> Interactive Data table (csv of latest version included in dataset here) susdat_2019-11-01-update4 XLSX and CSV versions are the original files now updated to contain Hazard and Exposure scores from Stellan Fischer NORMANSusDat_20Nov2019.csv is the corresponding MetFrag local CSV file, now also with Hazard and Exposure scores from Stellan Fischer. The InChIKey and DTXSID files support suspect screening via MetFrag and CompTox (https://comptox.epa.gov/dashboard/chemical_lists/susdat) A merged list of &gt;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. <em>Work in progress ... please report any issues!</em>