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Molecular computation in chemical reaction networks (CRNs) now constitutes a foundational framework for designing programmable biological systems. However, prevailing design methodologies primarily treat parallelism of chemical reactions as…

Molecular Networks · Quantitative Biology 2025-12-09 Renlei Jiang , Chuanhou Gao , Denis Dochain

We lay the foundation of a circuit theory for chemical reaction networks. Chemical reactions are grouped into chemical modules solely characterized by their current-concentration characteristic, as electrical devices by their…

Molecular Networks · Quantitative Biology 2023-07-27 Francesco Avanzini , Nahuel Freitas , Massimiliano Esposito

We develop a thermodynamic framework for closed and open chemical networks applicable to non-elementary reactions that do not need to obey mass action kinetics. It only requires the knowledge of the kinetics and of the standard chemical…

Statistical Mechanics · Physics 2020-09-16 Francesco Avanzini , Gianmaria Falasco , Massimiliano Esposito

Chemical reaction networks taken with mass-action kinetics are dynamical systems that arise in chemical engineering and systems biology. In general, determining whether a chemical reaction network admits multiple steady states is difficult,…

Dynamical Systems · Mathematics 2012-02-15 Badal Joshi , Anne Shiu

For chemical reaction networks described by a master equation, we define energy and entropy on a stochastic trajectory and develop a consistent nonequilibrium thermodynamic description along a single stochastic trajectory of reaction…

Statistical Mechanics · Physics 2009-11-11 Tim Schmiedl , Udo Seifert

We investigate the properties of large random conservative chemical reaction networks composed of elementary reactions endowed with either mass-action or saturating kinetics, assigning kinetic parameters in a thermodynamically-consistent…

Molecular Networks · Quantitative Biology 2014-11-26 Erwan Bigan , Jean-Marc Steyaert , Stéphane Douady

Graph transformation systems have the potential to be realistic models of chemistry, provided a comprehensive collection of reaction rules can be extracted from the body of chemical knowledge. A first key step for rule learning is the…

Discrete Mathematics · Computer Science 2016-04-22 Christoph Flamm , Daniel Merkle , Peter F. Stadler , Uffe Thorsen

We study the multistationarity for the reaction networks with one-dimensional stoichiometric subspaces, and we focus on the networks admitting finitely many positive steady states. We prove that if a network admits multistationarity, then…

Dynamical Systems · Mathematics 2021-08-24 Kexin Lin , Xiaoxian Tang , Zhishuo Zhang

Biological regulatory networks depend upon chemical interactions to process information. Engineering such molecular computing systems is a major challenge for synthetic biology and related fields. The chemical reaction network (CRN) model…

Emerging Technologies · Computer Science 2020-09-23 Cameron Chalk , Niels Kornerup , Wyatt Reeves , David Soloveichik

It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures…

Machine Learning · Computer Science 2022-01-05 Mohammadamin Tavakoli , Alexander Shmakov , Francesco Ceccarelli , Pierre Baldi

Reaction networks have been widely used as generic models in diverse areas of applied sciences, such as biology, chemistry, ecology, epidemiology, and computer science. A reaction network incorporating noisy effects is modeled as a…

Molecular Networks · Quantitative Biology 2026-05-12 Chuang Xu

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

Maintaining stability in an uncertain environment is essential for proper functioning of living systems. Robust perfect adaptation (RPA) is a property of a system that generates an output at a fixed level even after fluctuations in input…

Molecular Networks · Quantitative Biology 2023-02-03 Yuji Hirono , Hyukpyo Hong , Jae Kyoung Kim

Both natural and synthetic chemical systems not only exhibit a range of non-trivial dynamics, but also transition between qualitatively different dynamical behaviours as environmental parameters change. Such transitions are called…

Molecular Networks · Quantitative Biology 2026-02-03 Alexander Dack , Tomislav Plesa , Thomas E. Ouldridge

Background: Nuclear reactions are complex, with a large number of possible channels. Understanding how different channels contribute to a given reaction is investigated by perturbing the continuous spectrum. Purpose: To develop tools to…

Nuclear Theory · Physics 2024-06-28 Brady J. Martin , Wayne N. Polyzou

Reaction Systems (RSs) are a successful computational framework inspired by biological systems. A RS pairs a set of entities with a set of reactions over them. Entities can be used to enable or inhibit each reaction, and are produced by…

Logic in Computer Science · Computer Science 2020-09-01 Linda Brodo , Roberto Bruni , Moreno Falaschi

We characterize completely the capacity for (nondegenerate) multistationarity of mass action reaction networks with one-dimensional stoichiometric subspace in terms of reaction structure. Specifically, we show that networks with two or more…

Dynamical Systems · Mathematics 2022-08-15 Casian Pantea , Galyna Voitiuk

We extend the traditional framework of steady state energy transduction -- typically characterized by a single input and output -- to multi-resource transduction in open chemical reaction networks (CRNs). Transduction occurs when…

Molecular Networks · Quantitative Biology 2025-07-24 Massimo Bilancioni , Massimiliano Esposito

This paper analyses of a stochastic model of a chemical reaction network with three types of chemical species ${\cal R}$, ${\cal M}$ and ${\cal U}$ that interact to transform a flow of external resources, the chemical species ${\cal Q}$, to…

Probability · Mathematics 2025-12-01 Vincent Fromion , Philippe Robert , Jana Zaherddine

Biochemical models that exhibit bistability are of interest to biologists and mathematicians alike. Chemical reaction network theory can provide sufficient conditions for the existence of bistability, and on the other hand can rule out the…

Dynamical Systems · Mathematics 2008-04-28 Anne Shiu