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Synthetic biology is a rapidly emerging research area, with expected wide-ranging impact in biology, nanofabrication, and medicine. A key technical challenge lies in embedding computation in molecular contexts where electronic…

Emerging Technologies · Computer Science 2019-06-06 Marko Vasic , David Soloveichik , Sarfraz Khurshid

Stochastic reaction networks are mathematical models with a wide range of applications in biochemistry, ecology, and epidemiology, and are often complex to analyze. Except for some special cases, it is generally difficult to predict how the…

Probability · Mathematics 2026-04-02 Daniele Cappelletti , Giulio Cuniberti , Paola Siri

Information processing relying on biochemical interactions in the cellular environment is essential for biological organisms. The implementation of molecular computational systems holds significant interest and potential in the fields of…

Dynamical Systems · Mathematics 2023-12-01 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

Inferring chemical reaction networks (CRN) from concentration time series is a challenge encouragedby the growing availability of quantitative temporal data at the cellular level. This motivates thedesign of algorithms to infer the…

Quantitative Methods · Quantitative Biology 2023-02-09 Julien Martinelli , Jeremy Grignard , Sylvain Soliman , Annabelle Ballesta , François Fages

Recent research into analog computing has introduced new notions of computing real numbers. Huang, Klinge, Lathrop, Li, and Lutz defined a notion of computing real numbers in real-time with chemical reaction networks (CRNs), introducing the…

Emerging Technologies · Computer Science 2021-09-08 Willem Fletcher , Titus H. Klinge , James I. Lathrop , Dawn A. Nye , Matthew Rayman

Key processes in biological and chemical systems are described by networks of chemical reactions. From molecular biology to biotechnology applications, computational models of reaction networks are used extensively to elucidate their…

Quantitative Methods · Quantitative Biology 2019-02-18 Pavel Loskot , Komlan Atitey , Lyudmila Mihaylova

We study the model of continuous chemical reaction networks (CRNs), consisting of reactions such as $A+B \to C+D$ that can transform some continuous, nonnegative real-valued quantity (called a *concentration*) of chemical species $A$ and…

Emerging Technologies · Computer Science 2024-11-26 Kim Calabrese , David Doty

We propose a unified framework that allows for the full mechanistic reconstruction of chemical reaction networks (CRNs) from concentration data. The framework utilizes an integral formulation of the differential equations governing the…

Numerical Analysis · Mathematics 2026-02-13 Abraham Reyes-Velazquez , Stefan Güttel , Igor Larrosa , Jonas Latz

Similarly to gear systems in vehicles, most chemical reaction networks (CRNs) involved in energy transduction have at their disposal multiple transduction pathways, each characterized by distinct efficiencies. We conceptualize these…

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

Reaction networks are a general formalism for describing collections of classical entities interacting in a random way. While reaction networks are mainly studied by chemists, they are equivalent to Petri nets, which are used for similar…

Mathematical Physics · Physics 2021-11-23 John C. Baez

The popularity of molecular computation has given rise to several models of abstraction, one of the more recent ones being Chemical Reaction Networks (CRNs). These are equivalent to other popular computational models, such as Vector…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-28 Robert M. Alaniz , Bin Fu , Timothy Gomez , Elise Grizzell , Andrew Rodriguez , Marco Rodriguez , Robert Schweller , Tim Wylie

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

We study the composability of discrete chemical reaction networks (CRNs) that stably compute (i.e., with probability 0 of error) integer-valued functions $f:\mathbb{N}^d\to\mathbb{N}$. We consider output-oblivious CRNs in which the output…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-04 Eric E. Severson , David Haley , David Doty

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

In order to fully exploit the potential of molecular communication (MC) for intra-body communication, practically implementable cellular receivers are an important long-term goal. A variety of receiver architectures based on chemical…

Emerging Technologies · Computer Science 2023-05-11 Bastian Heinlein , Lukas Brand , Malcolm Egan , Maximilian Schäfer , Robert Schober , Sebastian Lotter

We show that some natural output conventions for error-free computation in chemical reaction networks (CRN) lead to a common level of computational expressivity. Our main results are that the standard consensus-based output convention have…

Emerging Technologies · Computer Science 2017-07-11 Robert Brijder , David Doty , David Soloveichik

Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analysed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some…

Logic in Computer Science · Computer Science 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska

Gene Regulatory Networks are networks of interactions in biological organisms responsible for determining the production levels of proteins and peptides. Proteins are workers of a cell factory, and their production defines the goal of a…

Neural and Evolutionary Computing · Computer Science 2022-09-12 Iliya Miralavy , Wolfgang Banzhaf

We present a uniform method for translating an arbitrary nondeterministic finite automaton (NFA) into a deterministic mass action input/output chemical reaction network (I/O CRN) that simulates it. The I/O CRN receives its input as a…

Computational Complexity · Computer Science 2018-12-27 Titus H. Klinge , James I. Lathrop , Jack H. Lutz

It is useful to have complete lists of nonisomorphic chemical reaction networks (CRNs) of a given size, with or without various restrictions. One may, for example, be interested in exploring how often certain dynamical behaviours occur in…

Molecular Networks · Quantitative Biology 2017-06-01 Murad Banaji