Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks

Various sizes of chemical reaction network exist, from small graphs of linear networks with several inorganic species to huge complex networks composed of protein reactions or metabolic systems. Huge complex networks of organic substrates have been well studied using statistical properties such as d...

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Main Authors: Yasutaka Mizui, Tetsuya Kojima, Shigeyuki Miyagi, Osamu Sakai
Format: Article
Language:English
Published: MDPI AG 2017-12-01
Series:Symmetry
Subjects:
Online Access:https://www.mdpi.com/2073-8994/9/12/309
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author Yasutaka Mizui
Tetsuya Kojima
Shigeyuki Miyagi
Osamu Sakai
author_facet Yasutaka Mizui
Tetsuya Kojima
Shigeyuki Miyagi
Osamu Sakai
author_sort Yasutaka Mizui
collection DOAJ
description Various sizes of chemical reaction network exist, from small graphs of linear networks with several inorganic species to huge complex networks composed of protein reactions or metabolic systems. Huge complex networks of organic substrates have been well studied using statistical properties such as degree distributions. However, when the size is relatively small, statistical data suffers from significant errors coming from irregular effects by species, and a macroscopic analysis is frequently unsuccessful. In this study, we demonstrate a graphical classification method for chemical networks that contain tens of species. Betweenness and closeness centrality indices of a graph can create a two-dimensional diagram with information of node distribution for a complex chemical network. This diagram successfully reveals systematic sharing of roles among species as a semi-statistical property in chemical reactions, and distinguishes it from the ones in random networks, which has no functional node distributions. This analytical approach is applicable for rapid and approximate understanding of complex chemical network systems such as plasma-enhanced reactions as well as visualization and classification of other graphs.
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spelling doaj.art-ac3ca7f1bdfd4a7f83847317a30a38642022-12-22T04:22:19ZengMDPI AGSymmetry2073-89942017-12-0191230910.3390/sym9120309sym9120309Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical NetworksYasutaka Mizui0Tetsuya Kojima1Shigeyuki Miyagi2Osamu Sakai3Electronic Systems Engineering, The University of Shiga Prefecture, 2500 Hassakacho, Hikone, Shiga 522-8533, JapanElectronic Systems Engineering, The University of Shiga Prefecture, 2500 Hassakacho, Hikone, Shiga 522-8533, JapanElectronic Systems Engineering, The University of Shiga Prefecture, 2500 Hassakacho, Hikone, Shiga 522-8533, JapanElectronic Systems Engineering, The University of Shiga Prefecture, 2500 Hassakacho, Hikone, Shiga 522-8533, JapanVarious sizes of chemical reaction network exist, from small graphs of linear networks with several inorganic species to huge complex networks composed of protein reactions or metabolic systems. Huge complex networks of organic substrates have been well studied using statistical properties such as degree distributions. However, when the size is relatively small, statistical data suffers from significant errors coming from irregular effects by species, and a macroscopic analysis is frequently unsuccessful. In this study, we demonstrate a graphical classification method for chemical networks that contain tens of species. Betweenness and closeness centrality indices of a graph can create a two-dimensional diagram with information of node distribution for a complex chemical network. This diagram successfully reveals systematic sharing of roles among species as a semi-statistical property in chemical reactions, and distinguishes it from the ones in random networks, which has no functional node distributions. This analytical approach is applicable for rapid and approximate understanding of complex chemical network systems such as plasma-enhanced reactions as well as visualization and classification of other graphs.https://www.mdpi.com/2073-8994/9/12/309chemical reaction networkcentrality indexstatistical analysisrandom graph
spellingShingle Yasutaka Mizui
Tetsuya Kojima
Shigeyuki Miyagi
Osamu Sakai
Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks
Symmetry
chemical reaction network
centrality index
statistical analysis
random graph
title Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks
title_full Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks
title_fullStr Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks
title_full_unstemmed Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks
title_short Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks
title_sort graphical classification in multi centrality index diagrams for complex chemical networks
topic chemical reaction network
centrality index
statistical analysis
random graph
url https://www.mdpi.com/2073-8994/9/12/309
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AT tetsuyakojima graphicalclassificationinmulticentralityindexdiagramsforcomplexchemicalnetworks
AT shigeyukimiyagi graphicalclassificationinmulticentralityindexdiagramsforcomplexchemicalnetworks
AT osamusakai graphicalclassificationinmulticentralityindexdiagramsforcomplexchemicalnetworks