Advances in Mathematical Chemistry and Applications  Book

Advances in Mathematical Chemistry and Applications


  • Author : Subhash C. Basak
  • Publisher : Elsevier
  • Release Date : 2016-02-11
  • Genre: Science
  • Pages : 376
  • ISBN 10 : 9781681081977

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Advances in Mathematical Chemistry and Applications Excerpt :

Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Mathematical Chemistry and Applications  Book

Advances in Mathematical Chemistry and Applications


  • Author : Subhash C. Basak
  • Publisher : Elsevier
  • Release Date : 2016-02-11
  • Genre: Science
  • Pages : 354
  • ISBN 10 : 9781681080529

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Advances in Mathematical Chemistry and Applications Excerpt :

Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Essays in the Philosophy of Chemistry Book

Essays in the Philosophy of Chemistry


  • Author : Eric Scerri
  • Publisher : Oxford University Press
  • Release Date : 2016-04-18
  • Genre: Science
  • Pages : 432
  • ISBN 10 : 9780190494605

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Essays in the Philosophy of Chemistry Excerpt :

The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's "Essays in the Philosophy of Chemistry" is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the "hard sciences" and philosophy become much more linked.

Advances in Mathematical Chemistry and Applications Book

Advances in Mathematical Chemistry and Applications


  • Author : Subhash C. Basak
  • Publisher : Bentham Science Publishers
  • Release Date : 2015-07-02
  • Genre: Science
  • Pages : 347
  • ISBN 10 : 9781681080529

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Advances in Mathematical Chemistry and Applications Excerpt :

“Advances in Mathematical Chemistry and Applications, Volume 2” highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry. This volume is written by internationally renowned experts in their respective fields and comprises of the wise integration of mathematical and chemical concepts which provide essential mathematical chemistry knowledge and cover numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology and ecological health. The contents of this book include chapters on mathematical structural descriptors of molecules and biomolecules, topological representation of molecular structure, connectivity matrices, use of weighted 2D Fingerprints in similarity-based virtual screening and many more. This ebook is a valuable resource for MSc and PhD students, academic personnel and researchers seeking updated and critically important information on the fundamental concepts of mathematical chemistry and their applications.

Big Data Analytics in Chemoinformatics and Bioinformatics Book

Big Data Analytics in Chemoinformatics and Bioinformatics


  • Author : Subhash C. Basak
  • Publisher : Elsevier
  • Release Date : 2022-12-09
  • Genre: Science
  • Pages : 503
  • ISBN 10 : 9780323857147

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Big Data Analytics in Chemoinformatics and Bioinformatics Excerpt :

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information. Brings together the current knowledge on the most important aspects of big data, including analysis using deep learning and fuzzy logic, transparency and data protection, disparate data analytics, and scalability of the big data domain Covers many applications of big data analysis in diverse fields such as chemistry, chemoinformatics, bioinformatics, computer-assisted drug/vaccine design, characterization of emerging pathogens, and environmental protection Highlights the considerable benefits offered by big data analytics to science, in biomedical fields and in industry

Systems Biology Application in Synthetic Biology Book

Systems Biology Application in Synthetic Biology


  • Author : Shailza Singh
  • Publisher : Springer
  • Release Date : 2016-09-08
  • Genre: Science
  • Pages : 160
  • ISBN 10 : 9788132228097

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Systems Biology Application in Synthetic Biology Excerpt :

This book introduces students to methods that will help them understand behaviour in terms of cellular components and their interactions in non-intuitive ways, which calls for an interdisciplinary approach combining mathematical, chemical, computational and biological strategies. Tibor Ganti was one of the early pioneers who proposed a theoretical framework to understand living principles in terms of chemical transformation cycles and their coupling. The twenty-first century then brought with it a novel ‘systems’ paradigm, which shone new light on all previous work and was accompanied by numerous implications for the way we conceive of chemical and biological complexity today. This book seeks to equip students to take advantage of any field that investigates living systems. Based on a conceptualisation of science-oriented branches, engineering-oriented branches and biology as astoundingly complex fields, those structures laden with biochemical detail encompass a deeper theory unifying our knowledge of designed systems. Readers will be pleasantly surprised at how lucidly the topics are presented. The book offers an indispensable resource for students and professionals working in systems and synthetic biology or any of the various related fields of research.

Advances in Methods and Applications of Quantum Systems in Chemistry  Physics  and Biology Book

Advances in Methods and Applications of Quantum Systems in Chemistry Physics and Biology


  • Author : Alexander V. Glushkov
  • Publisher : Springer Nature
  • Release Date : 2021-06-29
  • Genre: Science
  • Pages : 358
  • ISBN 10 : 9783030683146

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Advances in Methods and Applications of Quantum Systems in Chemistry Physics and Biology Excerpt :

This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.

Advances in Mathematical Inequalities Book

Advances in Mathematical Inequalities


  • Author : Shigeru Furuichi
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2020-02-10
  • Genre: Mathematics
  • Pages : 230
  • ISBN 10 : 9783110643640

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Advances in Mathematical Inequalities Excerpt :

Mathematical inequalities are essential tools in mathematics, natural science and engineering. This book gives an overview on recent advances. Some generalizations and improvements for the classical and well-known inequalities are described. They will be applied and further developed in many fields. Applications of the inequalities to entropy theory and quantum physics are also included.

Advances in Carbon Research and Application  2011 Edition Book

Advances in Carbon Research and Application 2011 Edition


  • Author : Anonim
  • Publisher : ScholarlyEditions
  • Release Date : 2012-01-09
  • Genre: Science
  • Pages : 521
  • ISBN 10 : 9781464921216

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Advances in Carbon Research and Application 2011 Edition Excerpt :

Advances in Carbon Research and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Carbon. The editors have built Advances in Carbon Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Carbon in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Carbon Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Advanced Concepts and Applications Book

Advanced Concepts and Applications


  • Author : Fidele Ntie-Kang
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2021-11-22
  • Genre: Science
  • Pages : 343
  • ISBN 10 : 9783110668896

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Advanced Concepts and Applications Excerpt :

Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included.

Mathematical Challenges from Theoretical Computational Chemistry Book

Mathematical Challenges from Theoretical Computational Chemistry


  • Author : Committee on Mathematical Challenges from Computational Chemistry
  • Publisher : National Academies Press
  • Release Date : 1995-04-12
  • Genre: Mathematics
  • Pages : 126
  • ISBN 10 : 9780309560641

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Mathematical Challenges from Theoretical Computational Chemistry Excerpt :

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Mathematical Challenges from Theoretical Computational Chemistry Book

Mathematical Challenges from Theoretical Computational Chemistry


  • Author : National Research Council
  • Publisher : National Academies Press
  • Release Date : 1995-03-29
  • Genre: Mathematics
  • Pages : 144
  • ISBN 10 : 030917662X

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Mathematical Challenges from Theoretical Computational Chemistry Excerpt :

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Mathematical Physics in Theoretical Chemistry Book

Mathematical Physics in Theoretical Chemistry


  • Author : S. M. Blinder
  • Publisher : Elsevier
  • Release Date : 2018-11-26
  • Genre: Science
  • Pages : 423
  • ISBN 10 : 9780128137017

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Mathematical Physics in Theoretical Chemistry Excerpt :

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

Science Book

Science


  • Author : John Michels (Journalist)
  • Publisher : Unknown
  • Release Date : 1901
  • Genre: Science
  • Pages : 1050
  • ISBN 10 : HARVARD:32044102975869

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Science Excerpt :

Since Jan. 1901 the official proceedings and most of the papers of the American Association for the Advancement of Science have been included in Science.