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This article characterizes certain small multistationary chemical reaction networks. We consider the set of fully open networks, those for which all chemical species participate in inflow and outflow, containing one non-flow (reversible or…

Dynamical Systems · Mathematics 2013-01-18 Badal Joshi

Autocatalytic chemical reaction networks can collectively replicate or maintain their constituents despite degradation reactions only above a certain threshold, which we refer to as the decay threshold. When the chemical network has a…

Molecular Networks · Quantitative Biology 2025-11-17 Armand Despons , Jérémie Unterberger , David Lacoste

The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, due to the available methods, analyses regarding network…

Computational Complexity · Computer Science 2013-09-30 Rolf Fagerberg , Christoph Flamm , Daniel Merkle , Philipp Peters , Peter F. Stadler

We consider the problem of inferring the unknown parameters of a stochastic biochemical network model from a single measured time-course of the concentration of some of the involved species. Such measurements are available, e.g., from…

Molecular Networks · Quantitative Biology 2011-11-22 Christian L. Muller , Rajesh Ramaswamy , Ivo F. Sbalzarini

Chemical reaction networks (CRNs) model the behavior of chemical reactions in well-mixed solutions and they can be designed to perform computations. In this tutorial we give an overview of various computational models for CRNs. Moreover, we…

Emerging Technologies · Computer Science 2018-11-27 Robert Brijder

Chemical kinetic mechanisms can be represented by sets of elementary reactions that are easily translated into mathematical terms using physicochemical relationships. The schematic representation of reactions captures the interactions…

Optimization and Control · Mathematics 2019-02-12 Farshad Harirchi , Doohyun Kim , Omar A. Khalil , Sijia Liu , Paolo Elvati , Angela Violi , Alfred O. Hero

Chemical reaction network is an important method for modeling and exploring complex biological processes, bio-chemical interactions and the behavior of different dynamics in system biology. But, formulating such reaction kinetics takes…

Artificial Intelligence · Computer Science 2025-03-28 Sadikshya Gyawali , Ashwini Mandal , Manish Dahal , Manish Awale , Sanjay Rijal , Shital Adhikari , Vaghawan Ojha

In this work we present new scalable, information theory-based variational methods for the efficient model reduction of high-dimensional deterministic and stochastic reaction networks. The proposed methodology combines, (a) information…

Numerical Analysis · Mathematics 2019-10-10 Markos A. Katsoulakis , Pedro Vilanova

Chemical reaction networks (CRNs) exhibit complex dynamics governed by their underlying network structure. In this paper, we propose a novel approach to study the dynamics of CRNs by representing them on species graphs (S-graphs). By…

Molecular Networks · Quantitative Biology 2024-04-24 Keisuke Sugie , Dimitri Loutchko , Tetsuya J. Kobayashi

Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump…

Information Theory · Computer Science 2013-08-02 Yannis Pantazis , Markos A. Katsoulakis , Dionisios G. Vlachos

This paper (parts I and II) provides an expository introduction to monotone and near-monotone dynamical systems associated to biochemical networks, those whose graphs are consistent or near-consistent. Many conclusions can be drawn from…

Molecular Networks · Quantitative Biology 2007-05-23 Eduardo D. Sontag

Networks coming from protein-protein interactions, transcriptional regulation, signaling, or metabolism may appear to have "unusual" properties. To quantify this, it is appropriate to randomize the network and test the hypothesis that the…

Molecular Networks · Quantitative Biology 2011-07-18 Areejit Samal , Olivier C. Martin

The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…

Computational Complexity · Computer Science 2009-01-28 David Soloveichik

Interacting biological systems at all organizational levels display emergent behavior. Modeling these systems is made challenging by the number and variety of biological components and interactions (from molecules in gene regulatory…

Molecular Networks · Quantitative Biology 2023-10-20 Jordan C. Rozum , Colin Campbell , Eli Newby , Fatemeh Sadat Fatemi Nasrollahi , Reka Albert

We study a stochastic two-species chemical reaction system with two mechanisms. One mechanism consists of chemical interactions which govern the overall drift of species amounts in the system; the other mechanism consists of resampling,…

Probability · Mathematics 2014-05-06 John K. McSweeney , Lea Popovic

For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is mandatory. The complexity of such a network may grow rapidly, in particular if reactive…

Chemical Physics · Physics 2016-01-08 Maike Bergeler , Gregor N. Simm , Jonny Proppe , Markus Reiher

Dynamic networks are structured interconnections of dynamical systems (modules) driven by external excitation and disturbance signals. In order to identify their dynamical properties and/or their topology consistently from measured data, we…

Systems and Control · Computer Science 2018-04-12 Harm H. M. Weerts , Paul M. J. Van den Hof , Arne G. Dankers

Analysis of large continuous-time stochastic systems is a computationally intensive task. In this work we focus on population models arising from chemical reaction networks (CRNs), which play a fundamental role in analysis and design of…

Systems and Control · Computer Science 2019-05-27 Milan Češka , Jan Křetínský

Chemical reaction network theory provides powerful tools for rigorously understanding chemical reactions and the dynamical systems and differential equations that represent them. A frequent issue with mathematical analyses of these networks…

Quantitative Methods · Quantitative Biology 2025-12-23 Joseph M. Sauder , Bruce P. Ayati , Ryan Kinser

In this paper I show that, for a class of reaction networks, the discrete stochastic nature of the reacting species and reactions results in qualitative and quantitative differences between the mean of exact stochastic simulations and the…

Other Quantitative Biology · Quantitative Biology 2008-01-03 Chetan J Gadgil