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In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…

Systems and Control · Computer Science 2015-09-21 Wei Pan , Ye Yuan , Lennart Ljung , Jorge Goncalves , Guy-Bart Stan

Polynomial dynamical systems are widely used to model and study real phenomena. In biochemistry, they are the preferred choice for modelling the concentration of chemical species in reaction networks with mass-action kinetics. These systems…

Algebraic Geometry · Mathematics 2014-12-30 Elisenda Feliu

Robustness of biochemical systems has become one of the central questions in systems biology although it is notoriously difficult to formally capture its multifaceted nature. Maintenance of normal system function depends not only on the…

Molecular Networks · Quantitative Biology 2012-03-28 Jost Neigenfind , Sergio Grimbs , Zoran Nikoloski

Feedback circuits in biochemical networks which underly cellular signaling pathways are important elements in creating complex behavior. A specific aspect thereof is how stability of equilibrium points depends on model parameters. For…

Molecular Networks · Quantitative Biology 2007-11-20 Steffen Waldherr , Frank Allgower

The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…

Statistical Mechanics · Physics 2023-04-04 Sara Dal Cengio , Vivien Lecomte , Matteo Polettini

Chemical reaction networks describe interactions between biochemical species. Once an underlying reaction network is given for a biochemical system, the system dynamics can be modelled with various mathematical frameworks such as continuous…

Probability · Mathematics 2023-06-22 German Enciso , Radek Erban , Jinsu Kim

Complex systems of intracellular biochemical reactions have a central role in regulating cell identities and functions. Biochemical reaction systems are typically studied using the language and tools of graph theory. However, graph…

Combinatorics · Mathematics 2021-09-24 Raffaella Mulas , Rubén J. Sánchez-García , Ben D. MacArthur

The quantitative convergence to equilibrium for reaction-diffusion systems arising from complex balanced chemical reaction networks with mass action kinetics is studied by using the so-called entropy method. In the first part of the paper,…

Analysis of PDEs · Mathematics 2016-11-11 Laurent Desvillettes , Klemens Fellner , Bao Quoc Tang

Under mass-action kinetics, biochemical reaction networks give rise to polynomial autonomous dynamical systems whose parameters are often difficult to estimate. We deal in this paper with the problem of identifying the kinetic parameters of…

Molecular Networks · Quantitative Biology 2019-04-26 Gabriela Jeronimo , Mercedes Pérez Millán , Pablo Solernó

Chemical reaction network theory provides powerful tools for rigorously understanding chemical reactions and the dynamical systems and differential equations that represent them. A frequent issue with mathematical analyses of these networks…

Quantitative Methods · Quantitative Biology 2025-12-23 Joseph M. Sauder , Bruce P. Ayati , Ryan Kinser

We present a novel method for identifying a biochemical reaction network based on multiple sets of estimated reaction rates in the corresponding reaction rate equations arriving from various (possibly different) experiments. The current…

Applications · Statistics 2008-10-06 Gheorghe Craciun , Casian Pantea , Grzegorz A. Rempala

In the first part of this paper, we propose new optimization-based methods for the computation of preferred (dense, sparse, reversible, detailed and complex balanced) linearly conjugate reaction network structures with mass action dynamics.…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel , Gábor Szederkényi

The analysis of non-equilibrium steady states of biochemical reaction networks relies on finding the configurations of fluxes and chemical potentials satisfying stoichiometric (mass balance) and thermodynamic (energy balance) constraints.…

Molecular Networks · Quantitative Biology 2011-07-13 Daniele De Martino , Matteo Figliuzzi , Andrea De Martino , Enzo Marinari

The development of chemical reaction models aids understanding and prediction in areas ranging from biology to electrochemistry and combustion. A systematic approach to building reaction network models uses observational data not only to…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Nikhil Galagali , Youssef M. Marzouk

Biochemical networks are used in computational biology, to model the static and dynamical details of systems involved in cell signaling, metabolism, and regulation of gene expression. Parametric and structural uncertainty, as well as…

Molecular Networks · Quantitative Biology 2014-10-15 Ovidiu Radulescu , Alexander N. Gorban , Andrei Zinovyev , Vincent Noel

Complex chemical reaction networks, which underlie many industrial and biological processes, often exhibit non-monotonic changes in chemical species concentrations, typically described using nonlinear models. Such non-monotonic dynamics are…

Adaptation and Self-Organizing Systems · Physics 2020-10-21 Zachary G. Nicolaou , Takashi Nishikawa , Schuyler B. Nicholson , Jason R. Green , Adilson E. Motter

Thermodynamic constraints on reactions directions are inherent in the structure of a given biochemical network. However, concrete procedures for determining feasible reaction directions for large-scale metabolic networks are not well…

Molecular Networks · Quantitative Biology 2007-05-23 Feng Yang , Feng Qi , Daniel A. Beard

We discuss a method of approximate model reduction for networks of biochemical reactions. This method can be applied to networks with polynomial or rational reaction rates and whose parameters are given by their orders of magnitude. In…

Molecular Networks · Quantitative Biology 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

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

Chemical reaction network theory is a field of applied mathematics concerned with modeling chemical systems, and can be used in other contexts such as in systems biology to study cellular signaling pathways or epidemiology to study the…

Algebraic Geometry · Mathematics 2024-06-17 Maize Curiel , Elise Farr , Galileo Fries , Luis David García Puente , Julian Hutchins , Vuong Nguyen Hoang
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