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Formal methods have enabled breakthroughs in many fields, such as in hardware verification, machine learning and biological systems. The key object of interest in systems biology, synthetic biology, and molecular programming is chemical…

Emerging Technologies · Computer Science 2020-08-11 Marko Vasic , David Soloveichik , Sarfraz Khurshid

The Turing completeness of continuous Chemical Reaction Networks (CRNs) states that any computable real function can be computed by a continuous CRN on a finite set of molecular species, possibly restricted to elementary reactions, i.e.…

Quantitative Methods · Quantitative Biology 2023-10-24 Mathieu Hemery , François Fages

Stochastic chemical reaction networks (CRNs) are complex systems which combine the features of concurrent transformation of multiple variables in each elementary reaction event, and nonlinear relations between states and their rates of…

Chemical Physics · Physics 2017-12-06 Eric Smith , Supriya Krishnamurthy

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

In the field of molecular computation based on chemical reaction networks (CRNs), leveraging parallelism to enable coupled mass-action systems (MASs) to retain predefined computational functionality has been a research focus. MASs…

Dynamical Systems · Mathematics 2025-10-16 Renlei Jiang , Chuanhou Gao , Denis Dochain

The Turing completeness of continuous chemical reaction networks (CRNs) states that any computable real function can be computed by a continuous CRN on a finite set of molecular species, possibly restricted to elementary reactions, i.e.…

Molecular Networks · Quantitative Biology 2022-06-22 Mathieu Hemery , François Fages

The dynamics of a chemical reaction network (CRN) is often modelled under the assumption of mass action kinetics by a system of ordinary differential equations (ODEs) with polynomial right-hand sides that describe the time evolution of…

Dynamical Systems · Mathematics 2023-01-05 Radek Erban , Hye-Won Kang

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…

This paper presents new results about the optimization based generation of chemical reaction networks (CRNs) of higher deficiency. Firstly, it is shown that the graph structure of the realization containing the maximal number of reactions…

Molecular Networks · Quantitative Biology 2011-03-23 Gabor Szederkenyi , Katalin M. Hangos , Tamas Peni

We investigate a broad family of non weakly reversible stochastically modeled reaction networks (CRN), by looking at their steady-state distributions. Most known results on stationary distributions assume weak reversibility and zero…

Probability · Mathematics 2023-02-20 Linard Hoessly , Christian Mazza

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics. The original problem…

Dynamical Systems · Mathematics 2011-07-05 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

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

Embedding computation in biochemical environments incompatible with traditional electronics is expected to have wide-ranging impact in synthetic biology, medicine, nanofabrication and other fields. Natural biochemical systems are typically…

Machine Learning · Computer Science 2022-06-15 Marko Vasic , Cameron Chalk , Austin Luchsinger , Sarfraz Khurshid , David Soloveichik

Deep Neural Networks (DNNs) deliver impressive performance but their black-box nature limits deployment in high-stakes domains requiring transparency. We introduce Compositional Function Networks (CFNs), a novel framework that builds…

Machine Learning · Computer Science 2025-08-01 Fang Li

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

Chemical reaction networks (CRNs) model the behavior of molecules in a well-mixed system. The emerging field of molecular programming uses CRNs not only as a descriptive tool, but as a programming language for chemical computation.…

Computational Complexity · Computer Science 2015-09-04 Adam Case , Jack H. Lutz , D. M. Stull

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Computational Engineering, Finance, and Science · Computer Science 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

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 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

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