Reaction Decoder Mapper

Perform Atom-Atom Mapping (AAM) using the Reaction Decoder Tool from the EBI. This node is based on 2.5.0-SNAPSHOT with the following changes:
  1. Returning the BufferedImage object
  2. Make Anotator method public to allow access
  3. Updated to use CDK 2.7.1
  4. Updated libraries to pull in security fixes.
No changes to the mapping algorithm have been made.

You must ensure that the reactions provided have structures in kekule form to avoid aromatisation issues.

Reaction centre image: reaction centres are highlighted in pink and neighbouring atoms in green

Reaction highlight image: the mapping of reactant to product is colour coded via the highlight


The unmapped reaction in SMILES or MDL Rxn format.

Input Ports

A table containing unmapped reactions in SMILES or RXN format.

Output Ports

Appended mapped reactions in RXN format.

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