A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

Authors: Nataliia Yilmaz, Pavlo Kozub, Svitlana Kozub

Official ChemRxiv DOI: https://doi.org/10.26434/chemrxiv-2025-fvn80
arXiv mirror: https://arxiv.org/abs/2510.25503

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It presents a vector-based algorithm that enumerates all stoichiometrically consistent balanced reactions for arbitrary numbers of reagents, avoiding matrix-algebra pitfalls and guaranteeing integer, non-negative coefficients where appropriate.
The method is designed to support automated generation and validation of chemical reaction networks (CRN).

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How to cite

APA (short):
Yilmaz, N., Kozub, P., & Kozub, S. (2025). A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents. ChemRxiv. https://doi.org/10.26434/chemrxiv-2025-fvn80

BibTeX:

@article{Yilmaz2025_VDCRN_Algorithm,
  title   = {A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents},
  author  = {Yilmaz, Nataliia and Kozub, Pavlo and Kozub, Svitlana},
  year    = {2025},
  journal = {ChemRxiv},
  doi     = {10.26434/chemrxiv-2025-fvn80},
  url     = {https://doi.org/10.26434/chemrxiv-2025-fvn80}
}