What makes a reaction network "chemical"?
Stefan MüllerChristoph FlammPeter F StadlerPublished in: Journal of cheminformatics (2022)
"Chemical" RNs are directed hypergraphs with a stoichiometric matrix [Formula: see text] whose left kernel contains a strictly positive vector and whose right kernel does not contain a futile cycle involving an irreversible reaction. This simple characterization also provides a concise specification of random models for chemical RNs that additionally constrain [Formula: see text] by rank, sparsity, or distribution of the non-zero entries. Furthermore, it suggests several interesting avenues for future research, in particular, concerning alternative representations of reaction networks and infinite chemical universes.