Advances in Mathematical Chemistry and Applications: Volume 2 PDF Download

Author: Subhash C. Basak
Publisher: Elsevier
ISBN: 1681080524
Category : Mathematics
Languages : en
Pages : 356

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Book Description
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

Author: Subhash C. Basak
Publisher: Elsevier
ISBN: 1681081970
Category : Science
Languages : en
Pages : 378

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Book Description
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

Author: Eric Scerri
Publisher: Oxford University Press
ISBN: 0190631546
Category : Science
Languages : en
Pages : 421

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Book Description
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.

Author: Subhash C. Basak
Publisher: Elsevier
ISBN: 0323857140
Category : Science
Languages : en
Pages : 503

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Book Description
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

Author: Mihai V. Putz
Publisher: CRC Press
ISBN: 0429663153
Category : Science
Languages : en
Pages : 401

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Book Description
New Frontiers in Nanochemistry: Concepts, Theories, and Trends, Volume 2: Topological Nanochemistry is the second of the new three-volume set that explains and explores the important basic and advanced modern concepts in multidisciplinary chemistry. Under the broad expertise of the editor, this second volume explores the rich research areas of nanochemistry with a specific focus on the design and control of nanotechnology by structural and reactive topology. The objective of this particular volume is to emphasize the application of nanochemistry. With 46 entries from eminent international scientists and scholars, the content in this volume spans concepts from A-to-Z—from entries on the atom-bond connectivity index to the Zagreb indices, from connectivity to vapor phase epitaxy, and from fullerenes to topological reactivity—and much more. The definitions within the text are accompanied by brief but comprehensive explicative essays as well as figures, tables, etc., providing a holistic understanding of the concepts presented.

Author: Mihai V. Putz
Publisher: CRC Press
ISBN: 0429634099
Category : Science
Languages : en
Pages : 1479

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Book Description
New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set explains and explores the important fundamental and advanced modern concepts from various areas of nanochemistry and, more broadly, the nanosciences. This innovative and one-of-a kind set consists of three volumes that focus on structural nanochemistry, topological nanochemistry, and sustainable nanochemistry respectively, collectively forming an explicative handbook in nanochemistry. The compilation provides a rich resource that is both thorough and accessible, encompassing the core concepts of multiple areas of nanochemistry. It also explores the content through a trans-disciplinary lens, integrating the basic and advanced modern concepts in nanochemistry with various examples, applications, issues, tools, algorithms, and even historical notes on the important people from physical, quantum, theoretical, mathematical, and even biological chemistry.

Author: Mohammad Reza Rahimpour
Publisher: Elsevier
ISBN: 0443192189
Category : Technology & Engineering
Languages : en
Pages : 544

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Book Description
Advances in Natural Gas: Formation, Processing, and Applications is a comprehensive eight-volume set of books that discusses in detail the theoretical basics and practical methods of various aspects of natural gas from exploration and extraction, to synthesizing, processing and purifying, producing valuable chemicals and energy. The volumes introduce transportation and storage challenges as well as hydrates formation, extraction, and prevention. Volume 2 titled Natural Gas Sweetening introduces in detail different natural gas sweetening methods. The book covers absorption with different solvents such as alkalis, amin blends, ionic liquids, etc. which is one of the important sweetening techniques, as well as natural gas sweetening with adsorption-based technologies utilizing various materials including zeolites, carbonaceous sorbents, metal oxides, etc. Is also discusses membrane-based processes with various types (such as ionic liquid, polymeric, MOF mixed matrix, dense metal membranes) and includes novel technologies for sweetening natural gas by using plasma and supersonic separators. - Introduces natural gas sweetening concepts and challenges - Describes various absorption and adsorption processes for natural gas sweetening - Includes various membrane technologies for natural gas sweetening

Author: Alain Miranville
Publisher: SIAM
ISBN: 1611975921
Category : Mathematics
Languages : en
Pages : 231

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Book Description
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 are still open. Initially proposed in view of applications to materials science, the Cahn–Hilliard equation is now applied in many other areas, including image processing, biology, ecology, astronomy, and chemistry. In particular, the author addresses applications to image inpainting and tumor growth. Many chapters include open problems and directions for future research. The Cahn-Hilliard Equation: Recent Advances and Applications is intended for graduate students and researchers in applied mathematics, especially those interested in phase separation models and their generalizations and applications to other fields. Materials scientists also will find this text of interest.

Author: Alfonso Hernández-Laguna
Publisher: Springer Science & Business Media
ISBN: 9781402004070
Category : Science
Languages : en
Pages : 440

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Book Description
These two volumes together comprise forty papers coming from the most outstanding contributions to the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997). These books cover a very broad spectrum of scientific research work from quantum-mechanical many-body methods to important applications and computational developments, and from atoms and molecules to condensed matter. The first volume is subtitled Basic Problems and Model Systems, and includes the following topics: density matrices and density functionals, electron correlation effects, relativistic formulations, valence theory, and nuclear motions. The second volume is subtitled Advanced Problems and Complex Systems and covers the following topics: response theory, condensed matter, reactive collisions and chemical reactions, and computational chemistry and physics.

Author: Zaheer Ul-Haq
Publisher: Bentham Science Publishers
ISBN: 1681081679
Category : Science
Languages : en
Pages : 372

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Book Description
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.