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Legacy reaction extraction data (1976-2013)

dataset
posted on 05.04.2020, 14:52 by Daniel LoweDaniel Lowe
Files formerly hosted on https://bitbucket.org/dan2097/patent-reaction-extraction/downloads/
This dataset is superceded by:
https://figshare.com/articles/Chemical_reactions_from_US_patents_1976-Sep2016_/5104873

Contents:

2008-2011_USPTO_reactionSmiles_filtered.zip:
Results analyzed in thesis (https://www.repository.cam.ac.uk/handle/1810/244727)

documentation.zip:
Describes file format and a whitepaper on the development of heuristics for filtering out mis-extracted reactions

2001-2013_USPTOapplications_CML.7z
1976-2013_USPTOgrants_CML.7z:
Reactions that could be atom-mapped as CML

2001-2013_USPTOapplications_reactionSmiles_feb2014filters.7z
1976-2013_USPTOgrants_reactionSmiles_feb2014filters.7z:
Subset of the aforementioned reactions that passed heuristics for filtering out mis-extracted reactions as SMILES



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