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Chemical Technology and Informatics in Chemistry with Applications

Chemical Technology and Informatics in Chemistry with Applications
Author: Alexander V. Vakhrushev
Publisher: CRC Press
Total Pages: 350
Release: 2019-01-15
Genre: Science
ISBN: 1351247441

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This volume reflects the huge breadth and diversity in research and the application of industrial and engineering chemistry and cheminformatics. The book presents cutting-edge research developments and new insights that emphasize the vibrancy of industrial and engineering chemistry and cheminformatics today. The first section of the book focuses on new insights in engineering chemistry while the second part looks at the promising future and novel approaches in chemical informatics, which has vast implications for industrial and pharmaceutical applications. Several chapters examine various industrial processes for emerging materials and determine practical use under a wide range of conditions, helping to establish what is needed to produce a new generation of materials.


Methodologies and Applications for Chemoinformatics and Chemical Engineering

Methodologies and Applications for Chemoinformatics and Chemical Engineering
Author: Haghi, A. K.
Publisher: IGI Global
Total Pages: 500
Release: 2013-05-31
Genre: Technology & Engineering
ISBN: 1466640111

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In recent years, significant advances have been made in the development of chemistry and computer science integration into the fields of biomedical and chemical engineering, applying quantum principles to practical, macro-world science. Methodologies and Applications for Chemoinformatics and Chemical Engineering brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. This book is essential amongst chemists, engineers, and researchers in providing mutual communication between academics and industry professionals around the world.


Methodologies and Applications for Chemoinformatics and Chemical Engineering

Methodologies and Applications for Chemoinformatics and Chemical Engineering
Author: A. K. Haghi
Publisher:
Total Pages: 480
Release: 2013
Genre: Chemical engineering
ISBN: 9781466640122

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"This book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science"--


Applied Chemistry and Chemical Engineering, Volume 1

Applied Chemistry and Chemical Engineering, Volume 1
Author: A. K. Haghi
Publisher: CRC Press
Total Pages: 296
Release: 2017-12-22
Genre: Mathematics
ISBN: 1315341433

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This new book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. It presents a modern approach to modeling and calculation and also looks at experimental design in applied chemistry and chemical engineering. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior. Providing numerous comparisons of different methods with one another and with different experiments, not only does this book summarize the classical theories, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas of chemistry and chemical engineering science, which have important application to practice, are discussed. Applied Chemistry and Chemical Engineering: Volume 1: Mathematical and Analytical Techniques provides valuable information for chemical engineers and researchers as well as for graduate students. It demonstrates the progress and promise for developing chemical materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications. Volume 2 will focus principles and methodologies in applied chemistry and chemical engineering.


Chemoinformatics

Chemoinformatics
Author: Jürgen Bajorath
Publisher: Springer Science & Business Media
Total Pages: 530
Release: 2008-02-04
Genre: Medical
ISBN: 1592598021

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In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of “all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. ” In Brown’s definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term “chemical informatics” that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course “chemometrics,” which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account that gaining kno- edge from chemical data alone is not sufficient to be ultimately successful in drug discovery. Such insights are well in accord with other views that the boundaries between bio- and chemoinformatics are fluid and that these d- ciplines should be closely combined or merged to significantly impact b- technology or pharmaceutical research (4).


Handbook of Research on Chemoinformatics and Chemical Engineering

Handbook of Research on Chemoinformatics and Chemical Engineering
Author: A. K. Haghi
Publisher: Nova Science Publishers
Total Pages: 0
Release: 2012-01-26
Genre: Chemical engineering
ISBN: 9781621009986

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As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. From theoretical chemistry and quantum chemistry to applied fields such as molecular modelling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. This book reviews research on chemoinformatics and chemical engineering that has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.


Chemistry and Industrial Techniques for Chemical Engineers

Chemistry and Industrial Techniques for Chemical Engineers
Author: Lionello Pogliani
Publisher: CRC Press
Total Pages: 389
Release: 2020-05-14
Genre: Science
ISBN: 1000001911

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This book, Chemistry and Industrial Techniques for Chemical Engineers, brings together innovative research, new concepts, and novel developments in the application of new tools for chemical and materials engineers. It contains significant research, reporting new methodologies, and important applications in the fields of chemical engineering as well as the latest coverage of chemical databases and the development of new methods and efficient approaches for chemists. With clear explanations, real-world examples, this volume emphasizes the concepts essential to the practice of chemical science, engineering, and technology while introducing the newest innovations in the field.


Applied Physical Chemistry with Multidisciplinary Approaches

Applied Physical Chemistry with Multidisciplinary Approaches
Author: A. K. Haghi
Publisher: CRC Press
Total Pages: 439
Release: 2018-05-03
Genre: Science
ISBN: 1351688871

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Presenting illustrative case studies, highlighting technological applications, and explaining theoretical and foundational concepts, this book is an important reference source on the key concepts for modern technologies and optimization of new processes in physical chemistry. This volume combines up-to-date research findings and relevant theoretical frameworks on applied chemistry, materials, and chemical engineering. This new volume presents an up-to-date review of modern materials and chemistry concepts, issues, and recent advances in the field. Distinguished scientists and engineers from key institutions worldwide have contributed chapters that provide a deep analysis of their particular subjects. At the same time, each topic is framed within the context of a broader more multidisciplinary approach, demonstrating its relationship and interconnectedness to other areas. The premise of this book, therefore, is to offer both a comprehensive understanding of applied science and engineering as a whole and a thorough knowledge of individual subjects. This approach appropriately conveys the basic fundamentals, state-of-the-art technology, and applications of the involved disciplines, and further encourages scientific collaboration among researchers. This volume emphasizes the intersection of chemistry, math, physics, and the resulting applications across many disciplines of science and explores applied physical chemistry principles in specific areas, including the life chemistry, environmental sciences, geosciences, and materials sciences. The applications from these multidisciplinary fields illustrate methods that can be used to model physical processes, design new products and find solutions to challenging problems.


Physical Chemistry for Engineering and Applied Sciences

Physical Chemistry for Engineering and Applied Sciences
Author: A. K. Haghi
Publisher: CRC Press
Total Pages: 430
Release: 2018-07-03
Genre: Science
ISBN: 1351613936

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This new volume, Physical Chemistry for Engineering and Applied Sciences: Theoretical and Methodological Implications, introduces readers to some of the latest research applications of physical chemistry. The compilation of this volume was motived by the tremendous increase of useful research work in the field of physical chemistry and related subjects in recent years, and the need for communication between physical chemists, physicists, and biophysicists. This volume reflects the huge breadth and diversity in research and the applications in physical chemistry and physical chemistry techniques, providing case studies that are tailored to particular research interests. It examines the industrial processes for emerging materials, determines practical use under a wide range of conditions, and establishes what is needed to produce a new generation of materials. The chapter authors, affiliated with prestigious scientific institutions from around the world, share their research on new and innovative applications in physical chemistry. The chapters in the volume are divided into several areas, covering developments in physical chemistry of modern materials polymer science and engineering nanoscience and nanotechnology


Modern Green Chemistry and Heterocyclic Compounds

Modern Green Chemistry and Heterocyclic Compounds
Author: Ravindra S. Shinde
Publisher: CRC Press
Total Pages: 302
Release: 2020-03-31
Genre: Medical
ISBN: 1000029174

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This book covers the general properties of heterocyclic compounds and methods for their preparation to use in applications of green chemistry. Heterocyclic compounds are an important class of molecules in organic chemistry due to their presence in natural products and their use in pharmaceuticals and new materials. They also play a vital role in the metabolism of living cells. Heterocyclic compounds have a wide range of applications in agrochemicals, pharmaceuticals, veterinary products, etc. This research-oriented volume is ideal for readers who want to fully realize the almost limitless potential of heterocyclic compounds and to discover new and effective pharmaceuticals among heterocyclic compounds, the largest and most varied family of organic compounds. The book features several case studies and step-by-step descriptions of synthetic methods and practical techniques. It also serves as a guide for chemists, offering them new insights and new paths to explore for effective drug discovery.