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Table 3 Comparison of advanced features

From: Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D

  Equivalent atoms Hydrogen atoms Reaction centres Maps all atoms Maps R groups Stereo-chemistry Maps unbalanced reactions
RDT \(\varvec{\chi }\) \(\varvec{\chi }\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\checkmark\)
DREAM \(\varvec{\chi }\) \(\checkmark\) \(\varvec{\chi }\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\varvec{\chi }\)
MWED \(\checkmark\) \(\varvec{\chi }\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\varvec{\chi }\)
CLCA \(\checkmark\) \(\checkmark ^{\rm a}\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\checkmark\) \(\checkmark\)
ICMAP \(\varvec{\chi }\) \(\varvec{\chi }\) \(\checkmark\) \(\varvec{\chi }\) \(\checkmark\) \(\varvec{\chi }\) \(\checkmark\)
AutoMapper 5.0.1 \(\varvec{\chi }\) \(\checkmark\) \(\varvec{\chi }\) \(\checkmark\) \(\checkmark\) \(\varvec{\chi }\) \(\checkmark\)
  1. \(^{\rm a}\) CLCA can only map hydrogen atoms for reactions with fully protonated molecules