遇见数据集

S17 | KEMIMARKET | KEMI Market List

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Zenodo2023-06-18 更新2026-05-25 收录
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This is the collection associated with list S17 KEMIMARKET on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ S17 : KEMIMARKET: <strong>KEMI Market List</strong> KEMI Market List MS-ready (12/05/2017) KEMI Market List XLSX with (12 MB) or without (1MB) structures (29/12/2017) CompTox KEMI Market List KEMI Market MS-ready InChIKeys (12/05/2017) KEMI Market Full InChIKeys (29/12/2017) Provided by Stellan Fischer, KEMI including Hazard and Exposure scores, documented here. Curated by Reza Aalizadeh, University of Athens. NOTE: This upload also contains files from July 2017 that have now been superseded by the December 2017 files. Nov 14 2019 update: added CSV of latest file. Nov 21 Update: fixed 3 truncated InChIKeys in CSV and InChIKey file. Feb 6, 2020: fixed SMILES issues in CSV for PubChem import. Jul 24, 2020: fixed two synonyms based on feedback from PubChem for GFMHHNOUDDHEOO-UHFFFAOYSA-N and LAUVMIDRJMQUQL-UHFFFAOYSA-N.

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Zenodo
创建时间:
2020-07-24
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