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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

We develop a data-driven method to learn chemical reaction networks from trajectory data. Modeling the reaction system as a continuous-time Markov chain and assuming the system is fully observed, our method learns the propensity functions…

Optimization and Control · Mathematics 2019-11-25 Wei Zhang , Stefan Klus , Tim Conrad , Christof Schütte

The stochastic kinetics of BRN are described by a chemical master equation (CME) and the underlying laws of mass action. The CME must be usually solved numerically by generating enough traces of random reaction events. The resulting…

Molecular Networks · Quantitative Biology 2023-06-21 Pavel Loskot

Reconstruction of biochemical reaction networks is a central topic in systems biology which raises crucial theoretical challenges in system identification. Nonlinear Ordinary Differential Equations (ODEs) that involve polynomial and…

Systems and Control · Computer Science 2016-11-18 Wei Pan , Ye Yuan , Guy-Bart Stan

The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, due to the available methods, analyses regarding network…

Computational Complexity · Computer Science 2013-09-30 Rolf Fagerberg , Christoph Flamm , Daniel Merkle , Philipp Peters , Peter F. Stadler

This paper addresses the decomposition of biochemical networks into functional modules that preserve their dynamic properties upon interconnection with other modules, which permits the inference of network behavior from the properties of…

Molecular Networks · Quantitative Biology 2014-12-03 Hari Sivakumar , Stephen R. Proulx , João P. Hespanha

Stochasticity is a key characteristic of intracellular processes such as gene regulation and chemical signalling. Therefore, characterising stochastic effects in biochemical systems is essential to understand the complex dynamics of living…

Molecular Networks · Quantitative Biology 2019-03-04 David J. Warne , Ruth E. Baker , Matthew J. Simpson

Reliability on complex biological networks reconstructions remains a concern. Although observations are getting more and more precise, the data collection process is yet error prone and the proofs display uneven certitude. In the case of…

Molecular Networks · Quantitative Biology 2010-08-20 M. Ángeles Serrano , Francesc Sagués

The construction of a reaction network containing all relevant intermediates and elementary reactions is necessary for the accurate description of chemical processes. In the case of a complex chemical reaction (involving, for instance, many…

Chemical Physics · Physics 2017-12-19 Gregor N. Simm , Markus Reiher

Zero-one biochemical reaction networks are widely recognized for their importance in analyzing signal transduction and cellular decision-making processes. Degenerate networks reveal non-standard behaviors and mark the boundary where…

Molecular Networks · Quantitative Biology 2025-12-01 Xiaoxian Tang , Yihan Wang , Jiandong Zhang

Steady states are frequently used to investigate the long-term behaviors of (bio)-chemical systems. Recently, there has been a growing interest in network-based approaches due to their efficiency in deriving parametrizations of positive…

Dynamical Systems · Mathematics 2024-04-02 Bryan S. Hernandez , Patrick Vincent N. Lubenia

Information thermodynamics relates the rate of change of mutual information between two interacting subsystems to their thermodynamics when the joined system is described by a bipartite stochastic dynamics satisfying local detailed balance.…

Statistical Mechanics · Physics 2022-08-05 Emanuele Penocchio , Francesco Avanzini , Massimiliano Esposito

In the real world, most objects and data have multiple types of attributes and inter-connections. Such data structures are named "Heterogeneous Information Networks" (HIN) and have been widely researched. Biological systems are also…

Molecular Networks · Quantitative Biology 2017-12-27 Koki Tsuyuzaki , Itoshi Nikaido

We present a computational procedure to characterize the signs of sensitivities of steady states to parameter perturbations in chemical reaction networks.

Quantitative Methods · Quantitative Biology 2013-12-31 Eduardo D. Sontag

We introduce, analyze, and implement a new method for parameter identification for system of ordinary differential equations that are used to model sets of biochemical reactions. Our method relies on the integral formulation of the ODE…

Quantitative Methods · Quantitative Biology 2007-05-23 S. A. Belbas , Suhnghee Kim

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

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

This article characterizes certain small multistationary chemical reaction networks. We consider the set of fully open networks, those for which all chemical species participate in inflow and outflow, containing one non-flow (reversible or…

Dynamical Systems · Mathematics 2013-01-18 Badal Joshi

High-throughput data acquisition in synthetic biology leads to an abundance of data that need to be processed and aggregated into useful biological models. Building dynamical models based on this wealth of data is of paramount importance to…

Systems and Control · Computer Science 2018-09-25 Zoltan A. Tuza , Guy-Bart Stan

In most natural sciences there is currently the insight that it is necessary to bridge gaps between different processes which can be observed on different scales. This is especially true in the field of chemical reactions where the…

Molecular Networks · Quantitative Biology 2008-03-03 L. Sbano , M. Kirkilionis