MongoDB dump (compressed)

This mongodump contains four collections associated with http://dx.doi.org/10.1021/acscentsci.7b00064 :<br>reaction_examples/lowe_1976-2013_USPTOgrants - a collection of reaction SMILES extracted from USPTO grants by Daniel Lowe<br>reaction_examples/lowe_1976-2013_USPTOgrants_reactions - an incomplete collection of reactions extracted from USPTO grants by Daniel Lowe, containing some additional information about reagents/catalysts/solvents where known<br>askcos_transforms/lowe_refs_general_v3 - a collection of highly-general reaction SMARTS strings extracted from the USPTO smiles<br>prediction/candidate_edits_8_9_16 - a collection of reaction examples with possible products enumerated, used as input for a machine learning model