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We present a step towards the metabolome-wide computational inference of cellular metabolic reaction networks from metabolic profiling data, such as mass spectrometry. The reconstruction is based on identification of irreducible statistical…

Quantitative Methods · Quantitative Biology 2011-06-02 Pradeep Bandaru , Mukesh Bansal , Ilya Nemenman

Genome-scale metabolic models have become a fundamental tool for examining metabolic principles. However, metabolism is not solely characterized by the underlying biochemical reactions and catalyzing enzymes, but also affected by regulatory…

Molecular Networks · Quantitative Biology 2019-06-19 Anne Grimbs , David F. Klosik , Stefan Bornholdt , Marc-Thorsten Hütt

We have created a genome-scale network reconstruction of Escherichia coli metabolism. Existing reconstructions were improved in terms of annotation standards, to facilitate their subsequent use in dynamic modelling. The resultant network is…

Molecular Networks · Quantitative Biology 2013-04-11 Kieran Smallbone

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

The large-scale properties of chemical reaction systems, such as the metabolism, can be studied with graph-based methods. To do this, one needs to reduce the information -- lists of chemical reactions -- available in databases. Even for the…

Molecular Networks · Quantitative Biology 2009-09-25 Petter Holme

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

Recent work on synthetic rescues has shown that the targeted deletion of specific metabolic genes can often be used to rescue otherwise non-viable mutants. This raises a fundamental biophysical question: to what extent can the whole-cell…

Molecular Networks · Quantitative Biology 2009-12-01 Dong-Hee Kim , Adilson E. Motter

The metabolic network of a living cell involves several hundreds or thousands of interconnected biochemical reactions. Previous research has shown that under realistic conditions only a fraction of these reactions is concurrently active in…

Molecular Networks · Quantitative Biology 2012-06-06 Joo Sang Lee , Takashi Nishikawa , Adilson E. Motter

A metabolic model can be represented as bipartite graph comprising linked reaction and metabolite nodes. Here it is shown how a network of conserved fluxes can be assigned to the edges of such a graph by combining the reaction fluxes with a…

Molecular Networks · Quantitative Biology 2015-05-13 Patrick B. Warren , Silvio M. Duarte Queiros , Janette L. Jones

We review a recent trend in computational systems biology which aims at using pattern recognition algorithms to infer the structure of large-scale biological networks from heterogeneous genomic data. We present several strategies that have…

Quantitative Methods · Quantitative Biology 2008-09-22 Jean-Philippe Vert

Metabolic networks play a crucial role in biology since they capture all chemical reactions in an organism. While there are networks of high quality for many model organisms, networks for less studied organisms are often of poor quality and…

Logic in Computer Science · Computer Science 2018-08-14 Clémence Frioux , Torsten Schaub , Sebastian Schellhorn , Anne Siegel , Philipp Wanko

Many of the chemical reactions that take place within a living cell are irreversible. Due to evolutionary pressures, the number of allowable reactions within these systems are highly constrained and thus the resulting metabolic networks…

Molecular Networks · Quantitative Biology 2013-03-04 Jonathan J Crofts , Ernesto Estrada

The automated inference of physically interpretable (bio)chemical reaction network models from measured experimental data is a challenging problem whose solution has significant commercial and academic ramifications. It is demonstrated,…

Neural and Evolutionary Computing · Computer Science 2014-12-22 Dominic P. Searson , Mark J. Willis , Allen Wright

The major biochemical networks of the living cell, the network of interacting genes and the network of biochemical reactions, are highly interdependent, however, they have been studied mostly as separate systems so far. In the last years an…

Molecular Networks · Quantitative Biology 2017-11-01 David F. Klosik , Anne Grimbs , Stefan Bornholdt , Marc-Thorsten Hütt

In living cells, biochemical reactions are catalyzed by specific enzymes and connect to one another by sharing substrates and products, forming complex networks. In our previous studies, we established a framework determining the responses…

Molecular Networks · Quantitative Biology 2017-09-06 Takashi Okada , Atsushi Mochizuki

Network models are widely used as structural summaries of biochemical systems. Statistical estimation of networks is usually based on linear or discrete models. However, the dynamics of these systems are generally nonlinear, suggesting that…

Applications · Statistics 2014-06-03 C. J. Oates , F. Dondelinger , N. Bayani , J. Korola , J. W. Gray , S. 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

Metabolic models condense biochemical knowledge about organisms in a structured and standardised way. As large-scale network reconstructions are readily available for many organisms, genome-scale models are being widely used among modellers…

Molecular Networks · Quantitative Biology 2025-10-15 Marco Corrao , Hai He , Wolfram Liebermeister , Elad Noor , Arren Bar-Even

Accurately determining and classifying the structure of complex networks is the focus of much current research. One class of network of particular interest are metabolic pathways, which have previously been studied from a graph theoretical…

Mathematical Physics · Physics 2012-10-10 Henry Dorrian , Kieran Smallbone , Jon borresen

Theoretical frameworks to estimate the tolerance of metabolic networks to various failures are important to evaluate the robustness of biological complex systems in systems biology. In this paper, we focus on a measure for robustness in…

Molecular Networks · Quantitative Biology 2011-10-18 Kazuhiro Takemoto , Takeyuki Tamura , Yang Cong , Wai-Ki Ching , Jean-Philippe Vert , Tatsuya Akutsu
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