Figure 1.

Graph reconstruction process. (a) Hexokinase reaction as described in the Recon2 database. Colored circles provide information on shared substructures between substrates and products. (b) Compound graph: each substrate is connected to each product of the reaction. Edges are weighted by the number of carbon atoms shared between each substrate to each product. (c) Final graph: transitions that do not involve the preservation of at least one carbon atom between the source and the target were removed.