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Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

Statistical Mechanics · Physics 2026-02-03 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

Principles of feedback control have been shown to naturally arise in biological systems and successfully applied to build synthetic circuits. In this work we consider Biochemical Reaction Networks (CRNs) as a paradigm for modelling…

Systems and Control · Computer Science 2019-03-26 Max Whitby , Luca Cardelli , Marta Kwiatkowska , Luca Laurenti , Mirco Tribastone , Max Tschaikowski

Chemical systems are interpreted through the species they contain and the reactions they may undergo, i.e., their chemical reaction network (CRN). In spite of their central importance to chemistry, the structure of CRNs continues to be…

Statistical Mechanics · Physics 2025-06-17 Alex Blokhuis , Martijn van Kuppeveld , Daan van de Weem , Robert Pollice

We show that if a chemical reaction network (CRN) admits nondegenerate (resp., linearly stable) oscillation, and we add new reversible reactions involving new species to this CRN, then the new CRN so created also admits nondegenerate…

Dynamical Systems · Mathematics 2021-06-14 Murad Banaji

Step Chemical Reaction Networks (step CRNs) are an augmentation of the Chemical Reaction Network (CRN) model where additional species may be introduced to the system in a sequence of ``steps.'' We study step CRN systems using a weak subset…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-03 Rachel Anderson , Bin Fu , Aiden Massie , Gourab Mukhopadhyay , Adrian Salinas , Robert Schweller , Evan Tomai , Tim Wylie

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

The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage,…

Computational Engineering, Finance, and Science · Computer Science 2015-12-07 Peter Banda , Drew Blount , Christof Teuscher

The Chemical Reaction Networks (CRN) interpreted through the differential semantics, even when restricted to elementary reactions with mass action law kinetics, form a Turing-complete language. This means that any computable real function…

Quantitative Methods · Quantitative Biology 2026-05-25 Mathieu Hemery

This paper answers an open question of Chen, Doty, and Soloveichik [1], who showed that a function f:N^k --> N^l is deterministically computable by a stochastic chemical reaction network (CRN) if and only if the graph of f is a semilinear…

Computational Complexity · Computer Science 2013-04-17 David Doty , Monir Hajiaghayi

We introduce a new model of \emph{step} Chemical Reaction Networks (step CRNs), motivated by the step-wise addition of materials in standard lab procedures. Step CRNs have ordered reactants that transform into products via reaction rules…

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

Probability · Mathematics 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

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

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

Inspired by Anderson et al. [J. R. Soc. Interface, 2014] we study the long-term behavior of discrete chemical reaction networks (CRNs). In particular, using techniques from both Petri net theory and CRN theory, we provide a powerful…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-16 Robert Brijder

We study the set of output stable configurations of chemical reaction deciders (CRDs). It turns out that CRDs with only bimolecular reactions (which are almost equivalent to population protocols) have a special structure that allows for an…

Computational Complexity · Computer Science 2015-06-16 Robert Brijder

Dynamical systems in biology are complex, and one often does not have comprehensive knowledge about the interactions involved. Chemical reaction network (CRN) inference aims to identify, from observing species concentrations over time, the…

Methodology · Statistics 2026-04-15 Yong See Foo , Adriana Zanca , Jennifer A. Flegg , Ivo Siekmann

Chemical reaction networks (CRNs) are a standard formalism used in chemistry and biology to reason about the dynamics of molecular interaction networks. In their interpretation by ordinary differential equations, CRNs provide a…

Quantitative Methods · Quantitative Biology 2020-07-28 Mathieu Hemery , François Fages , Sylvain Soliman

Reaction prediction remains one of the major challenges for organic chemistry, and is a pre-requisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, "learn" from being exposed to examples of the…

Chemical Physics · Physics 2017-06-01 Jennifer N. Wei , David Duvenaud , Alán Aspuru-Guzik

Most chemical processes, such as distillation, absorption, extraction, and catalytic reactions, are extremely complex processes that are affected by multiple factors. The relationships between their input variables and output variables are…

Systems and Control · Electrical Eng. & Systems 2021-10-19 Li Sun , Fei Liang , Wutai Cui

We present two quantitative behavioral equivalences over species of a chemical reaction network (CRN) with semantics based on ordinary differential equations. Forward CRN bisimulation identifies a partition where each equivalence class…

Logic in Computer Science · Computer Science 2015-07-16 Luca Cardelli , Mirco Tribastone , Max Tschaikowski , Andrea Vandin