Results 291 to 300 of about 669,188 (305)

Inference of Chemical Reaction Networks Using Hybrid S-system Models

Chemical Product and Process Modeling, 2007
This article demonstrates, using simulations, the potential of the S-system formalism for the inference of unknown chemical reaction networks from simple experimental data, such as that typically obtained from laboratory scale reaction vessels. Virtually no prior knowledge of the products and reactants is assumed.
Dominic P Searson, Mark J Willis, Simon J Horne, Allen R Wright   +3 more
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The differentiable manifold model of quantum-chemical reaction networks

International Journal of Quantum Chemistry, 2009
The methods of general and differential topology (topology ≈ “rubber geometry”) are particularly suitable for the quantum-mechanical description of nonrigid molecular systems. The concept of nuclear configuration space 3NR is replaced by a metric space M and subsequently by a topological space (M, TC) where points of nuclear geometries, as fundamental ...
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Hawkes Process Modelling for Chemical Reaction Networks in a Random Environment

SIAM Journal on Applied Dynamical Systems
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Mark Sinzger-D’Angelo, Jan Hasenauer, Heinz Koeppl   +2 more
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Evolution of Autocatalytic Sets in Computational Models of Chemical Reaction Networks

Origins of Life and Evolution of Biospheres, 2015
Several computational models of chemical reaction networks have been presented in the literature in the past, showing the appearance and (potential) evolution of autocatalytic sets. However, the notion of autocatalytic sets has been defined differently in different modeling contexts, each one having some shortcoming or limitation.
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P System Models of Bistable, Enzyme Driven Chemical Reaction Networks

2007
In certain classes of chemical reaction networks (CRN), there may be two stable states. The challenge is to find a model of the CRN such that the stability properties can be predicted. In this paper we consider the problem of building a P-system designed to simulate the CRN in an attempt to determine if the CRN is stable or bistable.
Stanley Dunn, Peter Stivers
openaire   +1 more source

Model reduction in bio-chemical reaction networks with Michaelis-Menten kinetics

2013 European Control Conference (ECC), 2013
In this paper, a model reduction procedure is proposed for the simplification of biochemical reaction network models. The approach is capable of reducing ODE models where the right hand side of the equations contains polynomial and/or rational function terms.
Katalin M. Hangos, Attila Gabor, Gabor Szederkenyi   +2 more
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Universal Computation and Optimal Construction in the Chemical Reaction Network-Controlled Tile Assembly Model

DNA, 2015
Nicholas Schiefer, E. Winfree
semanticscholar   +1 more source

Chemical Reaction Neural Network Modelling of Lignocellulosic Biomass Pyrolysis

SSRN Electronic Journal, 2023
Jiangkuan Xing, Ryoichi Kurose, Kun Luo, Jianren Fan   +3 more
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Robust Model Invalidation for Chemical Reaction Networks Using Generalized Moments

2023 62nd IEEE Conference on Decision and Control (CDC), 2023
Theodore W. Grunberg, Domitilla Del Vecchio   +1 more
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Modelling reactions in ESCAP polymers following EUV exposure via a chemical reaction network

International Conference on Extreme Ultraviolet Lithography 2023, 2023
Jacob R. Milton, Frances A. Houle, Samuel M. Blau   +2 more
openaire   +1 more source