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reactionSmilesFigShare2023.txt (79.04 MB)

Reaction SMILES dataset

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posted on 2023-04-01, 17:27 authored by Rik van der LingenRik van der Lingen

Reaction SMILES dataset update (now 733K), each line in the file represents a valid reaction SMILES. Source material US patents (2005 - 2016) collection by Daniel Lowe with data enhancement. Source material also includes reaction SMILES drawn from the general literature. Also includes USPTO data from 2022 and 2023.  All SMILES are valid by RDKit.  Also see https://kmt.vander-lingen.nl

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