Legacy reaction extraction data (1976-2013)

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This dataset is superceded by: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