Finding Thermodynamically Favorable Pathways in Reaction Networks using Flows in Hypergraphs and Mixed Integer Linear Programming. - Adittya Pal; Rolf Fagerberg; Jakob Lykke Andersen; Christoph Flamm; Peter Dittrich; Daniel Merkle (CoRR, 2024)

Estimating reaction barriers with deep reinforcement learning. - Adittya Pal (Data Sci., 2024)

Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming. - Adittya Pal; Rolf Fagerberg; Jakob Lykke Andersen; Christoph Flamm; Peter Dittrich; Daniel Merkle (J. Chem. Inf. Model., 2025)

Finding Pathways in Reaction Networks guided by Energy Barriers using Integer Linear Programming. - Adittya Pal; Rolf Fagerberg; Jakob Lykke Andersen; Peter Dittrich; Daniel Merkle (CoRR, 2025)

Thermodynamic free energy map for the non-oxidative glycolysis pathways. - Adittya Pal (J. Comput. Aided Mol. Des., 2025)