A MILP-based method that adds thermodynamic constraints to hyperflow pathway search in chemical reaction networks, applied to HCN-formamide chemistry.
https://github.com/AdittyaPal/thermodynamicsWithILP/blob/5f7aed70fe8706bbe0ffc2efedd68316d44e0f42/listOfSolutions.pdf, 2025
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Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming
A MILP-based method that adds thermodynamic constraints to hyperflow pathway search in chemical reaction networks, applied to HCN-formamide chemistry.