Encyclopedia of Complexity and Systems Science Series
cover

Complexity in Computational Chemistry

Editors: Estrada, Ernesto (Ed.)

  • Written by leading experts from around the world on chemical and biochemical complexity
  • Serves as a comprehensive reference for anyone interested in the study of chemical complexity from the atomic to the intermolecular level
  • Thoroughly updated from the first edition of the Encyclopedia--including new chapters on complexity in proteins, protein-protein interactions and metabolic transformation networks
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About this book

This volume of the Encyclopedia of Complexity and Systems Science Series describes the current state of the analysis of complexity in chemistry from a wide-ranging perspective. The volume covers not only the classical areas of molecular complexity and its implications in molecular design, QSAR, QSPR and molecular evolution, but also topics at the very forefront of development of this field in cross-disciplinary areas. The latter include for instance, chaotic systems in biochemistry as well as biological complexity and self-organization, topics related to organizational complexity at the nanoscale, as well as the structural and dynamical complexity of giant systems of interacting molecules, such as protein residue networks, protein-protein interaction networks and metabolic networks. All these topics are interwoven by a general overarching concept of complexity. Thus, from a theoretical point of view, the reader benefits from a broad view of the analysis of complexity in many different types of molecular and chemical systems. In addition, the reader gains insight into a series of modern techniques and tools that allow for a practical understanding of these complex chemical systems. Such modern techniques include the use of cellular automata, design of reaction sites, artificial intelligence methods, machine learning, quantum similarity techniques, network-theoretic, informational tools, QSAR, QSPR and molecular design, among others. 
Complexity in Computational Chemistry is a valuable reference for molecular biologists, chemists, molecular engineers, computer scientists and mathematicians interested in the study of chemical complexity at any scale, from the atomic to the intermolecular.

About the authors

Professor Ernesto Estrada is currently Chair of Complexity Sciences at the University of Strathclyde. His research has shaped and developed the study of complex networks and of mathematical chemistry. His expertise ranges from the areas of network structure, algebraic network theory, dynamical systems on networks to the study of random models of networks and the study of graph invariants for studying molecules, QSAR, QSPR and drug design. He has 188 publications attracting more than 9,200 citations, and a h-index of 54. He has published three books on network science, as well as 15 refereed book chapters. He is the founder and Editor-in-Chief of the Journal of Complex Networks, and Associate Editor of the SIAM Journal of Applied Mathematics, and he is on the Editorial Board of MATCH: Communications in Mathematical and in Computer Chemistry.

Buy this book

Print ca. 291,19 €
price for Spain (gross)
Print + eBook ca. 436,79 €
price for Spain (gross)
eReference ca. 299,59 €
price for Spain (gross)

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Bibliographic Information

Bibliographic Information
Book Title
Complexity in Computational Chemistry
Editors
  • Ernesto Estrada
Series Title
Encyclopedia of Complexity and Systems Science Series
Copyright
2022
Publisher
Springer US
Copyright Holder
Springer Science+Business Media, LLC, part of Springer Nature
Print ISBN
978-1-4939-9765-7
Print + eBook ISBN
978-1-4939-9767-1
eReference ISBN
978-1-4939-9766-4
Edition Number
1
Topics