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The workflow of the pathway search is divided into two parts. The first two steps (left) describe the atom weighting of the network from atom-mapped reactions. In this study, steps 1 and 2 are performed by BNICE.ch. Steps 3 and 4 (right), implemented in NICEpath, take the atom-weighted network as an input to create a searchable graph structure and finally apply a Yen’s k-shortest pathway search
