Atom Maps Semantics:

Tautomer bonds used in some systems. For example, carboxylate oxygens are chemcially equivalent, even though they are represented differently in SMILES.


  • Ambiguities in reaction mechanism.

  • Maps can be used to express the overall reactions in multi-step processes.


  • Incomplete information.

    It is never acceptable to force a user to "make up" data in order to register a reaction.

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