scholarly journals Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry

2014 ◽  
Vol 10 (3) ◽  
pp. 897-907 ◽  
Author(s):  
Dmitrij Rappoport ◽  
Cooper J. Galvin ◽  
Dmitry Yu. Zubarev ◽  
Alán Aspuru-Guzik
Keyword(s):  
Quantum Chemistry ◽  
Chemical Reaction ◽  
Chemical Reaction Networks ◽  
Reaction Networks ◽  
Complex Chemical ◽  
Complex Chemical Reaction

From systems biology to systems chemistry: metabolomic procedures enable insight into complex chemical reaction networks in water

RSC Advances ◽  
2014 ◽  
Vol 4 (32) ◽  
pp. 16777 ◽  
Author(s):  
Michaël Méret ◽  
Daniel Kopetzki ◽  
Thomas Degenkolbe ◽  
Sabrina Kleessen ◽  
Zoran Nikoloski ◽  
...  
Keyword(s):  
Systems Biology ◽  
Chemical Reaction ◽  
Chemical Reaction Networks ◽  
Reaction Networks ◽  
Complex Chemical ◽  
Complex Chemical Reaction ◽  
Systems Chemistry ◽  
Insight Into

scholarly journals Context-Driven Exploration of Complex Chemical Reaction Networks

2017 ◽  
Vol 13 (12) ◽  
pp. 6108-6119 ◽  
Author(s):  
Gregor N. Simm ◽  
Markus Reiher
Keyword(s):  
Chemical Reaction ◽  
Chemical Reaction Networks ◽  
Reaction Networks ◽  
Complex Chemical ◽  
Complex Chemical Reaction

scholarly journals Early warning signals in chemical reaction networks

2020 ◽  
Vol 56 (26) ◽  
pp. 3725-3728
Author(s):  
Oliver R. Maguire ◽  
Albert S. Y. Wong ◽  
Jan Harm Westerdiep ◽  
Wilhelm T. S. Huck
Keyword(s):  
Complex Systems ◽  
Chemical Reaction ◽  
Early Warning ◽  
Reaction Network ◽  
Chemical Reaction Networks ◽  
Chemical Reaction Network ◽  
Reaction Networks ◽  
Warning Signals ◽  
Early Warning Signals ◽  
Complex Chemical

Many natural and man-made complex systems display early warning signals when close to an abrupt shift in behaviour. Here we show that such early warning signals appear in a complex chemical reaction network.

A Synthon Approach to Artificial Chemistry

2009 ◽  
Vol 15 (1) ◽  
pp. 89-103 ◽  
Author(s):  
Tom Lenaerts ◽  
Hugues Bersini
Keyword(s):  
Chemical Reaction ◽  
Reaction Network ◽  
Logical Structure ◽  
Chemical Reaction Networks ◽  
The Other ◽  
Reaction Networks ◽  
Complex Chemical ◽  
Topological Evolution ◽  
The One ◽  
Insight Into

A coevolutionary model is discussed that incorporates the logical structure of constitutional chemistry and its kinetics on the one hand and the topological evolution of the chemical reaction network on the other hand. The motivation for designing this model is twofold. First, experiments that are to provide insight into chemical problems should be expressed in a syntax that remains as close as possible to real chemistry. Second, the study of physical properties of the complex chemical reaction networks requires growing models that incorporate features realistic from a biochemical perspective. In this article the theory and algorithms underlying the coevolutionary model are explained, and two illustrative examples are provided. These examples show that one needs to be careful in making general claims concerning the structure of chemical reaction networks.

An Observer for Mass-action Chemical Reaction Networks

2009 ◽  
Vol 15 (5) ◽  
pp. 578-597
Author(s):  
Marcello Farina ◽  
Sergio Bittanti
Keyword(s):  
Chemical Reaction ◽  
Chemical Reaction Networks ◽  
Mass Action ◽  
Reaction Networks
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