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Compare two MACiE Reactions

There are two options available for each search:

  1. To use either the exact bond change fingerprint or the bond type fingerprint.
    • In the exact bond change fingerprint, the reaction has directionality, such that a C-S bond formed will not be considered similar to a C-S bond cleaved.
    • In the case of the bond type fingerprint the directionality is removed and bond order changes are not considered, thus a C-O bond formed will be considered identical to a C-O bond cleaved or a C-O bond changing in order from a single to a double bond, etc.

Results are displayed as a Tanimoto similarity, and also an image of the two reactions being compared.

To run a search, use the pull down menus to select the search criteria and then click on the compare button

Compare two MACiE Reaction Steps

Compare reaction with reaction
at the level of using the manual annotation

Compare two MACiE Overall Reactions

Compare reaction with reaction

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