遇见数据集

S0 | SUSDAT | Merged NORMAN Suspect List: SusDat

收藏
Zenodo2020-07-30 更新2026-05-25 收录
数据链接:
官方服务:

资源简介:

This is the collection associated with list S0 SUSDAT on the NORMAN Suspect List Exchange. UPDATED October 27, 2019 with October 22 version. 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_2019-10-22-update4 XLSX and CSV versions are the original files NORMANSusDat_22Oct2019.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 &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>

提供机构:
Zenodo
创建时间:
2019-10-27
二维码
社区交流群
二维码
科研交流群
商业服务