The workflow was repeated for all KEGG molecules as target molecules 𝑡. All predicted metabolic reactions were combined with the literature-excerpted recorded reactions for reaction network assembly. Since this method creates new molecules and reactions, in principle, this method has the potential to predict an infinite number of reactions by iterating the workflow, i.e. using created reactions as analogue reactions, and consistently producing novel reactions. However, at this stage, we predicted only from the literature-excerpted reactions (i.e. from the first iteration) in KEGG database to avoid uncertainty propagations in further iterations.