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Identifying potential drug targets using metabolic modeling requires integrating multiple modeling methods and heterogenous biological datasets, which can be challenging without sophisticated tools. We developed COMO, a user-friendly…

Network theory has proven invaluable in unraveling complex protein interactions. Previous studies have employed statistical methods rooted in network theory, including the Gaussian graphical model, to infer networks among proteins,…

Methodology · Statistics 2026-05-07 Seungjun Ahn , Eun Jeong Oh

Constraint based methods, such as the Flux Balance Analysis, are widely used to model cellular growth processes without relying on extensive information on the regulatory features. The regulation is instead substituted by an optimization…

Optimization and Control · Mathematics 2017-06-14 Henning Lindhorst , Sergio Lucia , Rolf Findeisen , Steffen Waldherr

This paper presents a novel framework for the modeling of biological networks. It makes use of recent tools analyzing the robust satisfaction of properties of (hybrid) dynamical systems. The main challenge of this approach as applied to…

Computational Engineering, Finance, and Science · Computer Science 2012-08-22 Nicolas Mobilia , Alexandre Donzé , Jean Marc Moulis , Éric Fanchon

Enrichment of predictive models with new biomolecular markers is an important task in high-dimensional omic applications. Increasingly, clinical studies include several sets of such omics markers available for each patient, measuring…

We investigate the ability of algorithms developed for reverse engineering of transcriptional regulatory networks to reconstruct metabolic networks from high-throughput metabolite profiling data. For this, we generate synthetic metabolic…

Molecular Networks · Quantitative Biology 2007-11-19 Ilya Nemenman , G. Sean Escola , William S. Hlavacek , Pat J. Unkefer , Clifford J. Unkefer , Michael E. Wall

Metabolic modelling has entered a mature phase with dozens of methods and software implementations available to the practitioner and the theoretician. It is not easy for a modeller to be able to see the wood (or the forest) for the trees.…

Molecular Networks · Quantitative Biology 2018-09-26 Supreeta Vijayakumar , Max Conway , Pietro Lió , Claudio Angione

Metabolomic data sets provide a direct read-out of cellular phenotypes and are increasingly generated to study biological questions. Our previous work revealed the potential of analyzing extracellular metabolomic data in the context of the…

Molecular Networks · Quantitative Biology 2016-06-10 Maike K. Aurich , Ronan M. T. Fleming , Ines Thiele

In many key applications of metabolomics, such as toxicology or nutrigenomics, it is of interest to profile and detect changes in metabolic processes, usually represented in the form of pathways. As an alternative, a broader point of view…

Molecular Networks · Quantitative Biology 2014-07-17 Francesco Maiorano , Luca Ambrosino , Mario Rosario Guarracino

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

Recent progress has clarified many features of the global architecture of biological metabolic networks, which have highly organized and optimized tolerances and tradeoffs (HOT) for functional requirements of flexibility, efficiency,…

Molecular Networks · Quantitative Biology 2007-05-23 Reiko Tanaka , John Doyle

The genome-scale metabolic model with protein constraint (PC-model) has been increasingly popular for microbial metabolic simulations. We present PROSO Toolbox, a unified and simple-to-use PC-model toolbox that takes any high-quality…

Molecular Networks · Quantitative Biology 2023-08-30 Haoyang Yao , Laurence Yang

We introduce a methodology to study the possible matter flows of an ecosystem defined by observational biomass data and realistic biological constraints. The flows belong to a polyhedron in a multi dimensional space making statistical…

Adaptation and Self-Organizing Systems · Physics 2021-02-04 Jean-Guy Caputo , Valerie Girardin , Arnaud Knippel , Hieu Nguyen , Nathalie Niquil , Quentin Nogues

Assuming a steady-state condition within a cell, metabolic fluxes satisfy an under-determined linear system of stoichiometric equations. Characterizing the space of fluxes that satisfy such equations along with given bounds (and possibly…

Biological Physics · Physics 2017-04-10 Alfredo Braunstein , Anna Paola Muntoni , Andrea Pagnani

We show that deep learning models, and especially architectures like the Transformer, originally intended for natural language, can be trained on randomly generated datasets to predict to very high accuracy both the qualitative and…

Machine Learning · Computer Science 2021-12-08 François Charton , Amaury Hayat , Sean T. McQuade , Nathaniel J. Merrill , Benedetto Piccoli

Multiplexed immunofluorescence provides an unprecedented opportunity for studying specific cell-to-cell and cell microenvironment interactions. We employ graph neural networks to combine features obtained from tissue morphology with…

Mechanistic network models specify the mechanisms by which networks grow and change, allowing researchers to investigate complex systems using both simulation and analytical techniques. Unfortunately, it is difficult to write likelihoods…

Methodology · Statistics 2023-07-19 Jonathan Larson , Jukka-Pekka Onnela

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

Understanding the dependence and interplay between architecture and function in biological networks has great relevance to disease progression, biological fabrication and biological systems in general. We propose methods to assess the…

Quantitative Methods · Quantitative Biology 2009-10-17 Soumen Roy , Vladimir Filkov

Many methods have been developed for finding the commonalities between different organisms to study their phylogeny. The structure of metabolic networks also reveal valuable insights into metabolic capacity of species as well as into the…

Molecular Networks · Quantitative Biology 2016-04-08 Krishanu Deyasi , Anirban Banerjee , Bony Deb