Reaction mechanisms of the USPTO reactions labeled by MechFinder

Figshare 2026 Dataset Open access

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Authors: Shuan Chen
DOI: 10.6084/m9.figshare.28456943
Cited by: 0

Abstract

Reaction mechanisms of 21,093 chemical reactions in U.S. Patent and Trademark Office (USPTO) reaction dataset1 generated by MechFinder2 to test Reactron.ReferenceLowe, 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.

Fields of Study & Subjects

Chemical Reaction Mechanisms Computational Drug Discovery Methods Machine Learning in Materials Science

Publication details

Journal / source
Figshare
Publication date
1 January 2026
Document type
Dataset