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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

Network inference approaches are widely used to shed light on regulatory interplay between molecular players such as genes and proteins. Biochemical processes underlying networks of interest (e.g. gene regulatory or protein signalling…

Applications · Statistics 2014-06-03 Chris J Oates , Bryan T Hennessy , Yiling Lu , Gordon B Mills , Sach Mukherjee

Network inference approaches are now widely used in biological applications to probe regulatory relationships between molecular components such as genes or proteins. Many methods have been proposed for this setting, but the connections and…

Applications · Statistics 2014-06-03 Chris. J. Oates , Sach Mukherjee

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

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

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

A crisp survey is given of chemical reaction networks from the perspective of general nonlinear network dynamics, in particular of consensus dynamics. It is shown how by starting from the complex-balanced assumption the reaction dynamics…

Dynamical Systems · Mathematics 2015-02-10 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

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

Networked dynamical systems are common throughout science in engineering; e.g., biological networks, reaction networks, power systems, and the like. For many such systems, nonlinearity drives populations of identical (or near-identical)…

Dynamical Systems · Mathematics 2023-02-10 James Koch , Zhao Chen , Aaron Tuor , Jan Drgona , Draguna Vrabie

Chemical reaction network theory is a powerful framework to describe and analyze chemical systems. While much about the concentration profile in an equilibrium state can be determined in terms of the graph structure, the overall reaction's…

Molecular Networks · Quantitative Biology 2024-02-29 Tomoharu Suda

Biological systems and processes are networks of complex nonlinear regulatory interactions between nucleic acids, proteins, and metabolites. A natural way in which to represent these interaction networks is through the use of a graph. In…

Molecular Networks · Quantitative Biology 2023-01-04 Jacob Rast

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize…

Machine Learning · Computer Science 2021-12-10 Gabriel S. Gusmão , Adhika P. Retnanto , Shashwati C. da Cunha , Andrew J. Medford

Data-driven models for predicting dynamic responses of linear and nonlinear systems are of great importance due to their wide application from probabilistic analysis to inverse problems such as system identification and damage diagnosis. In…

Machine Learning · Computer Science 2020-12-29 Soheil Sadeghi Eshkevari , Martin Takáč , Shamim N. Pakzad , Majid Jahani

Graphical models are widely used to make inferences concerning interplay in multivariate systems. In many applications, data are collected from multiple related but nonidentical units whose underlying networks may differ but are likely to…

Methodology · Statistics 2014-12-04 Chris J. Oates , Jim Korkola , Joe W. Gray , Sach Mukherjee

A recent article by Weidner et al. [2021] presents a method to extract graph properties that are predictive of the dynamical behavior of multivariate, discrete models of biochemical regulation. In other words, a method that uses only…

Quantitative Methods · Quantitative Biology 2021-10-22 Luis M. Rocha

In a recent paper it was shown that, for chemical reaction networks possessing a subtle structural property called concordance, dynamical behavior of a very circumscribed (and largely stable) kind is enforced, so long as the kinetics lies…

Molecular Networks · Quantitative Biology 2012-04-26 Guy Shinar , Martin Feinberg

Gene and protein networks are very important to model complex large-scale systems in molecular biology. Inferring or reverseengineering such networks can be defined as the process of identifying gene/protein interactions from experimental…

Machine Learning · Computer Science 2017-03-10 Stefano Beretta , Mauro Castelli , Ivo Goncalves , Ivan Merelli , Daniele Ramazzotti

Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we revisit the analysis of chemical reaction networks described by mass action kinetics. For reaction networks possessing a thermodynamic…

Optimization and Control · Mathematics 2012-06-19 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

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 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
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