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To unveil the logic of cell from a level of chemical reaction dynamics, we need to clarify how ensemble of chemicals can autonomously produce the set of chemical, without assuming a specific external control echanism. A cell consists of a…

Molecular Networks · Quantitative Biology 2007-05-23 Kunihiko Kaneko

Computational methods in drug repositioning can help to conserve resources. In particular, methods based on biological networks are showing promise. Considering only the network topology and knowledge on drug target genes is not sufficient…

Molecular Networks · Quantitative Biology 2025-04-02 Atte Aalto , La Mi , Diego A. Blanco-Mora , Jorge Goncalves

Complex networks hosting binary-state dynamics arise in a variety of contexts. In spite of previous works, to fully reconstruct the network structure from observed binary data remains to be challenging. We articulate a statistical inference…

Physics and Society · Physics 2018-03-14 Chuang Ma , Han-Shuang Chen , Ying-Cheng Lai , Hai-Feng Zhang

Reaction networks are systems in which the populations of a finite number of species evolve through predefined interactions. Such networks are found as modeling tools in many biological disciplines such as biochemistry, ecology,…

Molecular Networks · Quantitative Biology 2015-06-15 Ankit Gupta , Corentin Briat , Mustafa Khammash

The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…

Computational Complexity · Computer Science 2009-01-28 David Soloveichik

Reaction-diffusion (Turing) systems are fundamental to the formation of spatial patterns in nature and engineering. These systems are governed by a set of non-linear partial differential equations containing parameters that determine the…

Machine Learning · Computer Science 2022-11-28 Jordon Kho , Winston Koh , Jian Cheng Wong , Pao-Hsiung Chiu , Chin Chun Ooi

We present two quantitative behavioral equivalences over species of a chemical reaction network (CRN) with semantics based on ordinary differential equations. Forward CRN bisimulation identifies a partition where each equivalence class…

Logic in Computer Science · Computer Science 2015-07-16 Luca Cardelli , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Analyzing synthesis pathways for target molecules in a chemical reaction network annotated with information on the kinetics of individual reactions is an area of active study. This work presents a computational methodology for searching for…

Computational Engineering, Finance, and Science · Computer Science 2026-03-31 Adittya Pal , Rolf Fagerberg , Jakob Lykke Andersen , Peter Dittrich , Daniel Merkle

Network inference, the task of reconstructing interactions in a complex system from experimental observables, is a central yet extremely challenging problem in systems biology. While much progress has been made in the last two decades,…

Quantitative Methods · Quantitative Biology 2024-09-12 Stephen Y Zhang

We propose a data-driven framework to learn interaction kernels in stochastic multi-agent systems. Our approach aims at identifying the functional form of nonlocal interaction and diffusion terms directly from trajectory data, without any a…

Machine Learning · Computer Science 2026-03-18 Giacomo Albi , Alessandro Alla , Elisa Calzola

New checkable criteria for persistence of chemical reaction networks are proposed, which extend and complement those obtained by the authors in previous work. The new results allow the consideration of reaction rates which are time-varying,…

Molecular Networks · Quantitative Biology 2009-05-12 David Angeli , Patrick De Leenheer , Eduardo Sontag

The primary structure of proteins, that is their sequence, represents one of the most abundant set of experimental data concerning biomolecules. The study of correlations in families of co--evolving proteins by means of an inverse…

Biomolecules · Quantitative Biology 2015-06-16 Sara Lui , Guido Tiana

The process of genetic recombination can be seen as a chemical reaction network with mass-action kinetics. We review the known results on existence, uniqueness, and global stability of an equilibrium in every compatibility class and for all…

Molecular Networks · Quantitative Biology 2015-03-05 Stefan Müller , Josef Hofbauer

Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analysed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some…

Logic in Computer Science · Computer Science 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska

Cell signaling networks are complex and often incompletely characterized, making it difficult to obtain a comprehensive picture of the mechanisms they encode. Mathematical modeling of these networks provides important clues, but the models…

Molecular Networks · Quantitative Biology 2022-11-07 Soutick Saha , Hye-ran Moon , Bumsoo Han , Andrew Mugler

The paper considers the problem of performing a task defined on a model parameter that is only observed indirectly through noisy data in an ill-posed inverse problem. A key aspect is to formalize the steps of reconstruction and task as…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Jonas Adler , Sebastian Lunz , Olivier Verdier , Carola-Bibiane Schönlieb , Ozan Öktem

Cellular phenotypes are determined by the dynamical activity of networks of co-regulated genes. Elucidating such networks is crucial for the understanding of normal cell physiology as well as for the dissection of complex pathologic…

Molecular Networks · Quantitative Biology 2007-05-23 Kai Wang , Nilanjana Banerjee , Adam Margolin , Ilya Nemenman , Katia Basso , Riccardo Favera , Andrea Califano

We consider the chemical reaction networks and study currents in these systems. Reviewing recent decomposition of rate functionals from large deviation theory for Markov processes, we adapt these results for reaction networks. In…

Mathematical Physics · Physics 2019-12-16 Johannes Zimmer , D. R. Michiel Renger

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…

Statistical Mechanics · Physics 2025-06-27 Paul Raux , Christophe Goupil , Gatien Verley

In many stochastic simulations of biochemical reaction networks, it is desirable to ``coarse-grain'' the reaction set, removing fast reactions while retaining the correct system dynamics. Various coarse-graining methods have been proposed,…

Quantitative Methods · Quantitative Biology 2009-11-13 M. J. Morelli , R. J. Allen , S. Tanase-Nicola , P. R. ten Wolde
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