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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…

化学物理 · 物理学 2017-12-06 Eric Smith , Supriya Krishnamurthy

A chemical reaction network (CRN) is composed of reactions that can be seen as interactions among entities called species, which exist within the system. Endowed with kinetics, CRN has a corresponding set of ordinary differential equations…

动力系统 · 数学 2021-04-20 Bryan S. Hernandez , Ralph John L. De la Cruz

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology,…

计算复杂性 · 计算机科学 2015-03-20 Ho-Lin Chen , David Doty , David Soloveichik

We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

新兴技术 · 计算机科学 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…

系统与控制 · 电气工程与系统科学 2023-01-23 Kim G. Larsen , Daniele Toller , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

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…

计算工程、金融与科学 · 计算机科学 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

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.…

计算复杂性 · 计算机科学 2015-09-04 Adam Case , Jack H. Lutz , D. M. Stull

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…

动力系统 · 数学 2020-08-13 Bryan S. Hernandez

The study of the dynamics of chemical reactions, and in particular phenomena such as oscillating reactions, has led to the recognition that many dynamical properties of a chemical reaction can be predicted from graph theoretical properties…

动力系统 · 数学 2022-11-08 J. J. P. Veerman , Tessa Whalen-Wagner , Ewan Kummel

Coupled chemical interactions in a well-mixed solution are commonly formalized as chemical reaction networks (CRNs). However, despite the widespread use of CRNs in the natural sciences, the range of computational behaviors exhibited by CRNs…

新兴技术 · 计算机科学 2023-04-11 Ho-Lin Chen , David Doty , Wyatt Reeves , David Soloveichik

Analysis of large continuous-time stochastic systems is a computationally intensive task. In this work we focus on population models arising from chemical reaction networks (CRNs), which play a fundamental role in analysis and design of…

系统与控制 · 计算机科学 2019-05-27 Milan Češka , Jan Křetínský

The Chemical Master Equation (CME) is used to stochastically model biochemical reaction networks, under the Markovian assumption. The low-order statistical moments induced by the CME are often the key quantities that one is interested in.…

系统与控制 · 计算机科学 2017-07-04 Mohammad Naghnaeian , Domitilla Del Vecchio

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

分子网络 · 定量生物学 2019-07-11 Ozan Kahramanoğulları

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…

新兴技术 · 计算机科学 2024-11-26 Kim Calabrese , David Doty

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…

分布式、并行与集群计算 · 计算机科学 2015-06-16 Robert Brijder

We derive the nonequilibrium conductance matrix for open stationary Chemical Reaction Networks (CRNs) described by a deterministic mass action kinetic equation. As an illustration, we determine the nonequilibrium conductance matrix of a CRN…

统计力学 · 物理学 2025-06-27 Paul Raux , Christophe Goupil , Gatien Verley

A chemical reaction mechanism (CRM) is a sequence of molecular-level events involving bond-breaking/forming processes, generating transient intermediates along the reaction pathway as reactants transform into products. Understanding such…

化学物理 · 物理学 2024-07-16 Ajnabiul Hoque , Manajit Das , Mayank Baranwal , Raghavan B. Sunoj

Continuous-time Markov chains are frequently used as stochastic models for chemical reaction networks, especially in the growing field of systems biology. A fundamental problem for these Stochastic Chemical Reaction Networks (SCRNs) is to…

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology,…

计算复杂性 · 计算机科学 2013-04-17 David Doty

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…

分布式、并行与集群计算 · 计算机科学 2023-07-04 Anne Condon , Yuval Emek , Noga Harlev
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