Chemical Technology And Informatics In Chemistry With Applications

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Chemical Technology and Informatics in Chemistry with Applications

Alexander V. Vakhrushev,Omari V. Mukbaniani,Heru Susanto
Chemical Technology and Informatics in Chemistry with Applications Book PDF

Author : Alexander V. Vakhrushev,Omari V. Mukbaniani,Heru Susanto
Publisher : CRC Press
Page : 350 pages
File Size : 55,7 Mb
Release : 2019-01-15
Category : Science
ISBN : 9781351247443

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Chemical Technology and Informatics in Chemistry with Applications by Alexander V. Vakhrushev,Omari V. Mukbaniani,Heru Susanto Pdf

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.

Engineering Technology and Industrial Chemistry with Applications

Reza K. Haghi,Francisco Torrens
Engineering Technology and Industrial Chemistry with Applications Book PDF

Author : Reza K. Haghi,Francisco Torrens
Publisher : CRC Press
Page : 338 pages
File Size : 47,9 Mb
Release : 2018-09-24
Category : Science
ISBN : 9781351586115

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Engineering Technology and Industrial Chemistry with Applications by Reza K. Haghi,Francisco Torrens Pdf

This volume, Engineering Technology and Industrial Chemistry with Applications, brings together innovative research, new concepts, and novel developments in the application of new tools for chemical and materials engineers. It provides a collection of innovative chapters on new scientific and industrial research from chemists and chemical engineers at several prestigious institutions. It looks at recent significant research and reports on new methodologies and important applications in the fields of chemical engineering as well as provides coverage of chemical databases, bringing together theory and practical applications. Highlighting theoretical foundations, real-world cases, and future directions, this authoritative reference source will be a valuable addition for researchers, practitioners, professionals, and students of chemistry material and chemical engineering.

Methodologies and Applications for Chemoinformatics and Chemical Engineering

Haghi, A. K.
Methodologies and Applications for Chemoinformatics and Chemical Engineering Book PDF

Author : Haghi, A. K.
Publisher : IGI Global
Page : 500 pages
File Size : 48,8 Mb
Release : 2013-05-31
Category : Technology & Engineering
ISBN : 9781466640115

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Methodologies and Applications for Chemoinformatics and Chemical Engineering by Haghi, A. K. Pdf

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.

An Introduction to Chemoinformatics

Andrew R. Leach,V.J. Gillet
An Introduction to Chemoinformatics Book PDF

Author : Andrew R. Leach,V.J. Gillet
Publisher : Springer
Page : 255 pages
File Size : 44,7 Mb
Release : 2007-09-04
Category : Science
ISBN : 9781402062919

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An Introduction to Chemoinformatics by Andrew R. Leach,V.J. Gillet Pdf

This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

Methodologies and Applications for Chemoinformatics and Chemical Engineering

A. K. Haghi
Methodologies and Applications for Chemoinformatics and Chemical Engineering Book PDF

Author : A. K. Haghi
Publisher : Unknown
Page : 480 pages
File Size : 45,5 Mb
Release : 2013
Category : Chemical engineering
ISBN : 146664012X

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Methodologies and Applications for Chemoinformatics and Chemical Engineering by A. K. Haghi Pdf

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

Chemoinformatics: Theory, Practice, & Products

Barry A. Bunin,Brian Siesel,Guillermo Morales,Jürgen Bajorath
Chemoinformatics Theory Practice Products Book PDF

Author : Barry A. Bunin,Brian Siesel,Guillermo Morales,Jürgen Bajorath
Publisher : Springer Science & Business Media
Page : 303 pages
File Size : 49,5 Mb
Release : 2006-11-23
Category : Science
ISBN : 9781402050015

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Chemoinformatics: Theory, Practice, & Products by Barry A. Bunin,Brian Siesel,Guillermo Morales,Jürgen Bajorath Pdf

Chemoinformatics is the use of information technology in the acquisition, analysis and management of data and information relating to chemical compounds and their properties. The purpose of this book is to provide computational scientists, medicinal chemists and biologists with complete practical information and underlying theory relating to modern Chemoinformatics and related drug discovery informatics technologies. This is an essential handbook for determining the right Chemoinformatics method or technology to use.

Research Methodologies and Practical Applications of Chemistry

Lionello Pogliani,A. K. Haghi,Nazmul Islam
Research Methodologies and Practical Applications of Chemistry Book PDF

Author : Lionello Pogliani,A. K. Haghi,Nazmul Islam
Publisher : CRC Press
Page : 298 pages
File Size : 52,6 Mb
Release : 2019-05-08
Category : Science
ISBN : 9780429659898

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Research Methodologies and Practical Applications of Chemistry by Lionello Pogliani,A. K. Haghi,Nazmul Islam Pdf

This new volume, Research Methodologies and Practical Applications of Chemistry, presents a detailed analysis of current experimental and theoretical approaches surrounding chemical science. With an emphasis on multidisciplinary as well as interdisciplinary applications, the book extensively reviews fundamental principles and presents recent research to help show logical connections between the theory and application of modern chemistry concepts. It also emphasizes the behavior of materials from the molecular point of view. The burgeoning field of chemistry and chemical science has led to many recent technological innovations and discoveries. Understanding the impact of these technologies on business, science, and industry is an important first step in developing applications for a variety of settings and contexts. The aim of this book is to present research that has transformed this discipline and aided its advancement. The book examines the strengths and future potential of chemical technologies in a variety of industries.

Chemoinformatics

Jürgen Bajorath
Chemoinformatics Book PDF

Author : Jürgen Bajorath
Publisher : Springer Science & Business Media
Page : 530 pages
File Size : 54,6 Mb
Release : 2008-02-04
Category : Medical
ISBN : 9781592598021

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Chemoinformatics by Jürgen Bajorath Pdf

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).

Physical Chemistry for Chemists and Chemical Engineers

Alexander V. Vakhrushev,Reza Haghi,J.V. de Julián-Ortiz
Physical Chemistry for Chemists and Chemical Engineers Book PDF

Author : Alexander V. Vakhrushev,Reza Haghi,J.V. de Julián-Ortiz
Publisher : CRC Press
Page : 264 pages
File Size : 40,5 Mb
Release : 2018-09-03
Category : Science
ISBN : 9781351379236

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Physical Chemistry for Chemists and Chemical Engineers by Alexander V. Vakhrushev,Reza Haghi,J.V. de Julián-Ortiz Pdf

This volume is based on different aspects of chemical technology that are associated with research and the development of theories for chemical engineers, helping to bridge the gap between classical analysis and modern, real-life applications. Taking an interdisciplinary approach, the authors present the current state-of-the-art technology in key materials with an emphasis on the rapidly growing technologies.

Chemistry and Chemical Engineering for Sustainable Development

Miguel A. Esteso,Ana Cristina Faria Ribeiro,A. K. Haghi
Chemistry and Chemical Engineering for Sustainable Development Book PDF

Author : Miguel A. Esteso,Ana Cristina Faria Ribeiro,A. K. Haghi
Publisher : CRC Press
Page : 313 pages
File Size : 41,5 Mb
Release : 2020-11-26
Category : Science
ISBN : 9781000727593

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Chemistry and Chemical Engineering for Sustainable Development by Miguel A. Esteso,Ana Cristina Faria Ribeiro,A. K. Haghi Pdf

The world faces significant challenges as population and consumption continue to grow while nonrenewable fossil fuels and other raw materials are depleted at ever-increasing rates. This volume takes a technical approach that addresses these issues using green design and analysis. It brings together innovative research, new concepts, and novel developments in the application of new tools for chemical and materials engineers. It is an immensely research-oriented, comprehensive, and practical work that focuses on the use of applied concepts to enhance productivity and sustainability in chemical engineering. It contains significant research that reports on new methodologies and important applications in the fields of chemical engineering as well as the latest coverage of chemical databases. Highlighting theoretical foundations, real-world cases, and future directions, the volume covers a diverse collection of the newest innovations in the field, including new research on atomic/nuclear physics, the barometric formula, amino acids in aqueous solutions, bioremediation and biotechnology, and more.

Engineering Technologies for Renewable and Recyclable Materials

Jithin Joy,Maciej Jaroszewski,Praveen K.M.,Sabu Thomas,Reza Haghi
Engineering Technologies for Renewable and Recyclable Materials Book PDF

Author : Jithin Joy,Maciej Jaroszewski,Praveen K.M.,Sabu Thomas,Reza Haghi
Publisher : CRC Press
Page : 238 pages
File Size : 51,9 Mb
Release : 2018-10-03
Category : Science
ISBN : 9781351377515

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Engineering Technologies for Renewable and Recyclable Materials by Jithin Joy,Maciej Jaroszewski,Praveen K.M.,Sabu Thomas,Reza Haghi Pdf

This new resource focuses on many recent advances in recycling and reuse of materials, outlining basic tools and novel approaches. It covers such important issues as e-waste recycling, bio-mass recycling, vermitechnology, recovery of metals, polymer recycling, environmental remediation, waste management, recycling of nanostructured materials, and more. Also included is coverage of new research in the use of laser spectroscopy, pyrolysis, and recycled biomaterials for biomedical applications.

Applied Chemistry and Chemical Engineering, Volume 1

A. K. Haghi,Devrim Balköse,Omari V. Mukbaniani,Andrew G. Mercader
Applied Chemistry and Chemical Engineering Volume 1 Book PDF

Author : A. K. Haghi,Devrim Balköse,Omari V. Mukbaniani,Andrew G. Mercader
Publisher : CRC Press
Page : 336 pages
File Size : 49,8 Mb
Release : 2017-12-22
Category : Mathematics
ISBN : 9781315341439

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Applied Chemistry and Chemical Engineering, Volume 1 by A. K. Haghi,Devrim Balköse,Omari V. Mukbaniani,Andrew G. Mercader Pdf

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.

Cheminformatics and its Applications

Amalia Stefaniu,Azhar Rasul,Ghulam Hussain
Cheminformatics and its Applications Book PDF

Author : Amalia Stefaniu,Azhar Rasul,Ghulam Hussain
Publisher : BoD – Books on Demand
Page : 192 pages
File Size : 52,5 Mb
Release : 2020-07-15
Category : Medical
ISBN : 9781838800673

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Cheminformatics and its Applications by Amalia Stefaniu,Azhar Rasul,Ghulam Hussain Pdf

Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.

Biochemistry, Biophysics, and Molecular Chemistry

Francisco Torrens,Debarshi Kar Mahapatra,A. K. Haghi
Biochemistry Biophysics and Molecular Chemistry Book PDF

Author : Francisco Torrens,Debarshi Kar Mahapatra,A. K. Haghi
Publisher : CRC Press
Page : 211 pages
File Size : 52,5 Mb
Release : 2020-04-07
Category : Medical
ISBN : 9781000008326

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Biochemistry, Biophysics, and Molecular Chemistry by Francisco Torrens,Debarshi Kar Mahapatra,A. K. Haghi Pdf

Biochemistry, Biophysics, and Molecular Chemistry: Applied Research and Interactions provides the background needed in biophysics and molecular chemistry and offers a great deal of advanced biophysical knowledge. It emphasizes the growing interrelatedness of molecular chemistry and biochemistry, and acquaints one with experimental methods of both disciplines. This book addresses some of the enormous advances in biochemistry, particularly in the areas of structural biology and bioinformatics, by providing a solid biochemical foundation that is rooted in chemistry. Topics include scientific integrity and ethics in the field; clinical translational research in cancer, diabetes, and cardiovascular disease; emerging drugs to treat neurodegenerative diseases; swine, avian, and human flu; the use of big data in artificial knowledge in the field; bioinformatic insights on molecular chemistry; and much more.

Modern Green Chemistry and Heterocyclic Compounds

Ravindra S. Shinde,A. K. Haghi
Modern Green Chemistry and Heterocyclic Compounds Book PDF

Author : Ravindra S. Shinde,A. K. Haghi
Publisher : CRC Press
Page : 226 pages
File Size : 43,9 Mb
Release : 2020-03-31
Category : Medical
ISBN : 9781000029192

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Modern Green Chemistry and Heterocyclic Compounds by Ravindra S. Shinde,A. K. Haghi Pdf

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.