Fig. 5
From: Automatic mapping of atoms across both simple and complex chemical reactions
Performance of various mappers quantified on the 401 reactions from the main test set. For ChemDraw and Indigo, solid parts of the bars correspond to the more stringent criterion that all atoms in the molecule must be assigned numbers. Shaded parts of the bars give the percentages of correct answers assuming a more lenient criterion allowing for unmapped but chemically unique atoms (see examples in Supplementary Fig. 6). ReactionMap does significantly better (~71%) on complex reactions with full stoichiometry (see main text)
