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q-bio.MN2026
Systematic pathway comparison on the powerset of rule-based biochemical systems
Anne-Susann Abel, Sissel Banke, Erika M. Herrera Machado +4
Computational pathway design often focuses on evaluating selected pathways or optimizing fluxes in a fixed network, but gives less direct access to the combinatorial question of wh…
q-bio.MN2026
A Collision-based strategy for Network-free Exploration of Complex Molecular Networks
Adittya Pal, Rolf Fagerberg, Jakob Lykke Andersen +2
This work presents a stochastic exploration framework for large, implicitly defined chemical reaction spaces that are too large to be generated and stored as explicit molecular net…