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The automated inference of physically interpretable (bio)chemical reaction network models from measured experimental data is a challenging problem whose solution has significant commercial and academic ramifications. It is demonstrated,…

Neural and Evolutionary Computing · Computer Science 2014-12-22 Dominic P. Searson , Mark J. Willis , Allen Wright

A family of results, referred to as inheritance results, tell us which enlargements of a chemical reaction network (CRN) preserve its capacity for nontrivial behaviours such as multistationarity and oscillation. In this paper, the following…

Dynamical Systems · Mathematics 2023-02-23 Murad Banaji

A reaction system exhibits "absolute concentration robustness" (ACR) in some species if the positive steady-state value of that species does not depend on initial conditions. Mathematically, this means that the positive part of the variety…

Dynamical Systems · Mathematics 2022-06-08 Nicolette Meshkat , Anne Shiu , Angélica Torres

Under suitable assumptions, the dynamic behaviour of a chemical reaction network is governed by an autonomous set of polynomial ordinary differential equations over continuous variables representing the concentrations of the reactant…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel

In this essay, we investigate some relations between Chemical Reaction Networks (CRN) and Mathematical Epidemiology (ME) and report on several pleasant surprises which we had simply by putting these two topics together. Firstly, we propose…

Molecular Networks · Quantitative Biology 2025-05-22 Florin Avram , Rim Adenane , Andrei D. Halanay , Matthew D. Johnston

Deterministic chaos is commonly associated with spectral criticality: exponential sensitivity is expected when Jacobian eigenvalues exceed unity in parts of the attractor, producing the local expansion that offsets contraction elsewhere. We…

Chaotic Dynamics · Physics 2026-03-10 D. Sornette , V. R. Saiprasad , V. Troude

The central theme of complex systems research is understanding the emergent macroscopic properties of a system from the interplay of its microscopic constituents. Here, we ask what conditions a complex network of microscopic dynamical units…

Dynamical Systems · Mathematics 2012-07-25 Anne-Ly Do , Stefano Boccaletti , Jeremias Epperlein , Stefan Siegmund , Thilo Gross

This paper studies the (discrete) \emph{chemical reaction network (CRN)} computational model that emerged in the last two decades as an abstraction for molecular programming. The correctness of CRN protocols is typically established under…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-04 Anne Condon , Yuval Emek , Noga Harlev

The fundamental decomposition of a chemical reaction network (CRN) is induced by partitioning the reaction set into "fundamental classes". It was the basis of the Higher Deficiency Algorithm for mass action systems of Ji and Feinberg, and…

Dynamical Systems · Mathematics 2020-08-13 Bryan S. Hernandez

The Chemical Reaction Network (CRN) is a well-studied model that describes the interaction of molecules in well-mixed solutions. In 2014, Qian and Winfree [22] proposed the abstract surface chemical reaction network model (sCRN), which…

Computational Complexity · Computer Science 2024-06-14 Yi-Xuan Lee , Ho-Lin Chen

Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet,…

Molecular Networks · Quantitative Biology 2021-01-22 Weiqi Ji , Sili Deng

We analyze the computational complexity of basic reconfiguration problems for the recently introduced surface Chemical Reaction Networks (sCRNs), where ordered pairs of adjacent species nondeterministically transform into a different…

Prediction of one-dimensional protein structures such as secondary structures and contact numbers is useful for the three-dimensional structure prediction and important for the understanding of sequence-structure relationship. Here we…

Biomolecules · Quantitative Biology 2007-05-23 Akira R. Kinjo , Ken Nishikawa

Some results are presented on how oscillation is inherited by chemical reaction networks (CRNs) when they are built in natural ways from smaller oscillatory networks. The main results describe four important ways in which a CRN can be…

Dynamical Systems · Mathematics 2017-11-07 Murad Banaji

We present a data-driven verification approach that determines whether or not a given chemical reaction network (CRN) satisfies a given property, expressed as a formula in a modal logic. Our approach consists of three phases, integrating…

Computational Engineering, Finance, and Science · Computer Science 2020-04-24 Gareth W. Molyneux , Viraj B. Wijesuriya , Alessandro Abate

Much of the theory on chemical-reaction networks (CRNs) has been developed in the ideal-solution limit, where interactions between the solutes are negligible. However, there is a large variety of phenomena in biological cells and…

Biological Physics · Physics 2022-12-09 Ander Movilla Miangolarra , Michele Castellana

When interfaces between ordered domains are ordered clusters, frustration disappears. A phase with mixed ordered structures emerges but no length scale can be associated to. We show that sum of densities of each structure plays the role of…

Statistical Mechanics · Physics 2010-05-13 Y. Boughaleb , M. Noureddine , R. Nassif

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an…

Molecular Networks · Quantitative Biology 2025-02-27 Anna C. M. Thöni , William E. Robinson , Yoram Bachrach , Wilhelm T. S. Huck , Tal Kachman

Autocatalysis is an important feature of metabolic networks, contributing crucially to the self-maintenance of organisms. Autocatalytic subsystems of chemical reaction networks (CRNs) are characterized in terms of algebraic conditions on…

Molecular Networks · Quantitative Biology 2026-05-06 Richard Golnik , Thomas Gatter , Peter F. Stadler , Nicola Vassena

This paper develops the concept of decomposition for chemical reaction networks, based on which a network decomposition technique is proposed to capture the stability of large-scale networks characterized by a high number of species, high…

Dynamical Systems · Mathematics 2021-02-23 Yafei Lu , Chuanhou Gao , Denis Dochain