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Reaction mechanisms of the USPTO reactions labeled by MechFinder

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https://figshare.com/articles/dataset/Reaction_mechanisms_of_the_USPTO_reactions_labeled_by_MechFinder/28456943
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资源简介:
Reaction mechanisms of 21,093 chemical reactions in U.S. Patent and Trademark Office (USPTO) reaction dataset1 generated by MechFinder2 to test Reactron. Reference Lowe, Daniel (2017). Chemical reactions from US patents (1976-Sep2016). figshare. Dataset. https://doi.org/10.6084/m9.figshare.5104873.v1Chen, S., Babazade, R., Kim, T., Han, S., & Jung, Y. (2024). A large-scale reaction dataset of mechanistic pathways of organic reactions. Scientific Data, 11(1), 863.
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2026-01-31
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