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Flux balance analysis has proven an effective tool for analyzing metabolic networks. In flux balance analysis, reaction rates and optimal pathways are ascertained by solving a linear program, in which the growth rate is maximized subject to…

最优化与控制 · 数学 2018-04-10 Amir Akbari , Paul I. Barton

Graph algorithms and techniques are increasingly being used in scientific and commercial applications to express relations and explore large data sets. Although conventional or commodity computer architectures, like CPU or GPU, can compute…

硬件体系结构 · 计算机科学 2017-07-03 Michel A. Kinsy , Rashmi S. Agrawal , Hien D. Nguyen

An Elementary Flux Mode (EFM) is a pathway with minimum set of reactions that are functional in steady-state constrained space. Due to the high computational complexity of calculating EFMs, different approaches have been proposed to find…

分子网络 · 定量生物学 2018-02-06 Mona Arabzadeh , Morteza Saheb Zamani , Mehdi Sedighi , Sayed-Amir Marashi

We develop a novel data-driven framework as an alternative to dynamic flux balance analysis, bypassing the demand for deep domain knowledge and manual efforts to formulate the optimization problem. The proposed framework is end-to-end,…

机器学习 · 计算机科学 2024-10-21 Santanu Rathod , Pietro Lio , Xiao Zhang

One approach to studying the system-wide organization of biochemistry is to use statistical graph theory. Even in such a heavily simplified method, which disregards most of the dynamic aspects of biochemistry, one is faced with fundamental…

分子网络 · 定量生物学 2010-08-17 Petter Holme , Mikael Huss

Metabolism plays a central role in cell physiology because it provides the molecular machinery for growth. At the genome-scale, metabolism is made up of thousands of reactions interacting with one another. Untangling this complexity is key…

分子网络 · 定量生物学 2020-12-21 Varshit Dusad , Denise Thiel , Mauricio Barahona , Hector C. Keun , Diego A. Oyarzún

Pattern matching on large graphs is the foundation for a variety of application domains. Strict latency requirements and continuously increasing graph sizes demand the usage of highly parallel in-memory graph processing engines that need to…

数据库 · 计算机科学 2017-06-15 Alexander Krause , Annett Ungethüm , Thomas Kissinger , Dirk Habich , Wolfgang Lehner

The methodology named LIFE (Linear-in-Flux-Expressions) was developed with the purpose of simulating and analyzing large metabolic systems. With LIFE, the number of model parameters is reduced by accounting for correlations among the…

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…

分子网络 · 定量生物学 2015-05-13 Patrick B. Warren , Silvio M. Duarte Queiros , Janette L. Jones

This paper proposes the design and implementation strategy of a novel computing architecture, the Factor Machine. The work is a step towards a general-purpose parallel system operating in a non-sequential manner, exploiting…

硬件体系结构 · 计算机科学 2024-02-21 Piotr Dudek

In a cell or microorganism the processes that generate mass, energy, information transfer, and cell fate specification are seamlessly integrated through a complex network of various cellular constituents and reactions. However, despite the…

统计力学 · 物理学 2009-10-31 H. Jeong , B. Tombor , R. Albert , Z. N. Oltvai , A. -L. Barabasi

Metabolic flux balance analyses are a standard tool in analysing metabolic reaction rates compatible with measurements, steady-state and the metabolic reaction network stoichiometry. Flux analysis methods commonly place unrealistic…

Metabolism is a fascinating cell machinery underlying life and disease and genome-scale reconstructions provide us with a captivating view of its complexity. However, deciphering the relationship between metabolic structure and function…

分子网络 · 定量生物学 2011-09-12 M. Angeles Serrano , Marian Boguna , Francesc Sagues

Unraveling the structure of complex biological networks and relating it to their functional role is an important task in systems biology. Here we attempt to characterize the functional organization of the large-scale metabolic networks of…

分子网络 · 定量生物学 2015-06-12 Shalini Singh , Areejit Samal , Varun Giri , Sandeep Krishna , Nandula Raghuram , Sanjay Jain

Representation of cities as organisms with metabolic processes is a useful analogy for urban design, development and sustainability. Urban metabolism can be modeled by representing urban systems as networks. The various networks included in…

物理与社会 · 物理学 2026-04-09 Bharat Sharma , Abhilasha J. Saroj , Evan Scherrer , Melissa R. Allen-Dumas

Quite generally, constraint-based metabolic flux analysis describes the space of viable flux configurations for a metabolic network as a high-dimensional polytope defined by the linear constraints that enforce the balancing of production…

This paper serves as a framework for designing advanced models for drug action on metabolism. Drug treatment may affect metabolism by either enhancing or inhibiting metabolic reactions comprising a metabolic network. We introduce the…

分子网络 · 定量生物学 2020-03-30 Sean T. McQuade , Nathaniel J. Merrill , Benedetto Piccoli

A key feature of neural network architectures is their ability to support the simultaneous interaction among large numbers of units in the learning and processing of representations. However, how the richness of such interactions trades off…

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…

分子网络 · 定量生物学 2023-01-04 Jacob Rast

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…

分子网络 · 定量生物学 2009-09-25 Petter Holme
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