Reaction SMILES:
-
Anyone who knows molecule SMILES can understand reactions. No new
rules about structures.
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Direct extension of SMILES. The only extension (>) operates over
entire molecules. Parsing reactions is trivial.
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Conceptual shift for users of SMILES. The SMILES language has always
been tightly associated with the idea of a 'molecule'.
For example:
CC(=O)O.OCC>[H+].[Cl-].OCC>CC(=O)OCC
