Fig. 1: The process followed to generate the rules of enzyme catalysis as extracted from the M-CSA database, explained for two mechanistic steps.
From: EzMechanism: an automated tool to propose catalytic mechanisms of enzyme reactions
a, Example of two mechanistic steps from unrelated enzymes that share some chemical similarities. b, Graph of curly arrows showing the electron flow in the chemical groups seen in the exemplified steps. c, Single- and mixed-step rules that can be created by traversing the curly arrow graph. The small version of the curly arrow graph beside each rule indicates how the graph must be traversed to generate that rule.
