Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming.
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| Title: | Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming. |
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| Authors: | Pal A; Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark., Fagerberg R; Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark., Andersen JL; Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark., Flamm C; Department of Theoretical Chemistry, University of Vienna, Währinger Straße 17, 1090 Wien, Austria., Dittrich P; Department of Mathematics and Computer Science, Friedrich Schiller University Jena, Fürstengraben, 07743 Jena, Germany., Merkle D; Department of Mathematics and Computer Science, University of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark.; Faculty of Technology, Bielefeld University, Postfach 10 01 31, 33501 Bielefeld, Germany. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2025 Jul 14; Vol. 65 (13), pp. 6772-6787. Date of Electronic Publication: 2025 Jun 10. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1549-960X |
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| DOI: | 10.1021/acs.jcim.5c00265 |
