advances in mathematical chemistry and applications

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Advances in Mathematical Chemistry and Applications
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Publisher : Elsevier
Release Date :
ISBN 10 : 1681081970
Pages : 376 pages
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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

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

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Advances in Mathematical Chemistry and Applications

Download or read online Advances in Mathematical Chemistry and Applications written by Subhash C. Basak, published by Unknown which was released on 2015. Get Advances in Mathematical Chemistry and Applications Books now! Available in PDF, ePub and Kindle.

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Advances in Mathematical Chemistry

"Advances in Mathematical Chemistry and Applications, Volume 1" highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry. This Volume is written by internationally renowned experts in the field. It comprises of a wise integration of mathematical and chemical concepts and covers numerous applications in the field of

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Advances in Mathematical Chemistry and Applications

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

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Recent Advances in Mathematical and Statistical Methods

This book focuses on the recent development of methodologies and computation methods in mathematical and statistical modelling, computational science and applied mathematics. It emphasizes the development of theories and applications, and promotes interdisciplinary endeavour among mathematicians, statisticians, scientists, engineers and researchers from other disciplines. The book provides ideas, methods and

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Advances in Mathematics and Applications

This book celebrates the 50th anniversary of the Institute of Mathematics, Statistics and Scientific Computing (IMECC) of the University of Campinas, Brazil, by offering reviews of selected research developed at one of the most prestigious mathematics institutes in Latin America. Written by senior professors at the IMECC, it covers topics

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Advances in the Mathematical Sciences

Presenting the latest findings in topics from across the mathematical spectrum, this volume includes results in pure mathematics along with a range of new advances and novel applications to other fields such as probability, statistics, biology, and computer science. All contributions feature authors who attended the Association for Women in

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Advances in Mathematical Modeling  Optimization and Optimal Control

This book contains extended, in-depth presentations of the plenary talks from the 16th French-German-Polish Conference on Optimization, held in Kraków, Poland in 2013. Each chapter in this book exhibits a comprehensive look at new theoretical and/or application-oriented results in mathematical modeling, optimization, and optimal control. Students and researchers involved

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The Cahn   Hilliard Equation  Recent Advances and Applications

This is the first book to present a detailed discussion of both classical and recent results on the popular Cahn–Hilliard equation and some of its variants. The focus is on mathematical analysis of Cahn–Hilliard models, with an emphasis on thermodynamically relevant logarithmic nonlinear terms, for which several questions

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Chemical Graph Theory

Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the

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Advances in Molecular Similarity

This volume highlights some of the advances in molecular similarity. Molecular similarity research is a dynamic field where the rapid transfer of ideas and methodologies from the theoretical, quantum chemical and mathematical chemistry disciplines to efficient algorithms and computer programs used in industrially important applications is especially evident. These applications

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Recent Advances in QSAR Studies

This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.

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Mathematical Physics in Theoretical Chemistry

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

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Advances in Chemical Engineering

The cross-fertilization of physico-chemical and mathematical ideas has a long historical tradition. This volume of Advances in Chemical Engineering is almost completely dedicated to a conference on “Mathematics in Chemical Kinetics and Engineering (MaCKiE-2007), which was held in Houston in February 2007, bringing together about 40 mathematicians, chemists, and chemical engineers from 10

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Advances in Metallodrugs

This book is organized into 12 important chapters that focus on the progress made by metal-based drugs as anticancer, antibacterial, antiviral, anti-inflammatory, and anti-neurodegenerative agents, as well as highlights the application areas of newly discovered metallodrugs. It can prove beneficial for researchers, investigators and scientists whose work involves inorganic and coordination

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