Paths to cheminformatics: Q&A with Ann M. Richard.
作者信息
Richard Ann M
机构信息
The U.S. Environmental Protection Agency, Durham, NC, USA.
出版信息
J Cheminform. 2023 Oct 5;15(1):93. doi: 10.1186/s13321-023-00749-1.
Abstract
摘要
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2
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Nat Mach Intell. 2022 Mar;4(3):189-191. doi: 10.1038/s42256-022-00465-9. Epub 2022 Mar 7.
3
Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research.
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5
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6
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