Chemometric Methods in Molecular Design

Chemometric Methods in Molecular Design

Author: Han van de Waterbeemd

Publisher: John Wiley & Sons

Published: 2008-07-11

Total Pages: 379

ISBN-13: 352761544X

DOWNLOAD EBOOK

The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world's experts, it provides in-depth information on * molecular concepts * experimental design in the planning of syntheses * multivariate analysis of chemical and biological data * statistical validation of QSAR results An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications. Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work. Also available: Advanced Computer-Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd


Book Synopsis Chemometric Methods in Molecular Design by : Han van de Waterbeemd

Download or read book Chemometric Methods in Molecular Design written by Han van de Waterbeemd and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world's experts, it provides in-depth information on * molecular concepts * experimental design in the planning of syntheses * multivariate analysis of chemical and biological data * statistical validation of QSAR results An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications. Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work. Also available: Advanced Computer-Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd

Advanced Computer-Assisted Techniques in Drug Discovery

Advanced Computer-Assisted Techniques in Drug Discovery

Author: Han van de Waterbeemd

Publisher: John Wiley & Sons

Published: 2008-09-26

Total Pages: 363

ISBN-13: 3527615660

DOWNLOAD EBOOK

The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The emphasis is on showing users how to apply these methods and avoid costly and time-consuming methodical errors. Topics covered include * combination of statistical methods and molecular modeling tools * rational use of databases * advanced statistical techniques * neural networks and expert systems in molecular design This book addresses the practitioner in industry and research, as well as the novice wishing to become acquainted with modern tools in medicinal chemistry.


Book Synopsis Advanced Computer-Assisted Techniques in Drug Discovery by : Han van de Waterbeemd

Download or read book Advanced Computer-Assisted Techniques in Drug Discovery written by Han van de Waterbeemd and published by John Wiley & Sons. This book was released on 2008-09-26 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The emphasis is on showing users how to apply these methods and avoid costly and time-consuming methodical errors. Topics covered include * combination of statistical methods and molecular modeling tools * rational use of databases * advanced statistical techniques * neural networks and expert systems in molecular design This book addresses the practitioner in industry and research, as well as the novice wishing to become acquainted with modern tools in medicinal chemistry.

Handbook of Molecular Descriptors

Handbook of Molecular Descriptors

Author: Roberto Todeschini

Publisher: John Wiley & Sons

Published: 2008-07-11

Total Pages: 688

ISBN-13: 3527613110

DOWNLOAD EBOOK

Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.


Book Synopsis Handbook of Molecular Descriptors by : Roberto Todeschini

Download or read book Handbook of Molecular Descriptors written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.

Frontiers in Computational Chemistry: Volume 2

Frontiers in Computational Chemistry: Volume 2

Author: Zaheer Ul-Haq

Publisher: Elsevier

Published: 2015-12-16

Total Pages: 446

ISBN-13: 1608059782

DOWNLOAD EBOOK

Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes 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. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methods Uniquely focuses on computational chemistry approaches that can accelerate drug design Makes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics


Book Synopsis Frontiers in Computational Chemistry: Volume 2 by : Zaheer Ul-Haq

Download or read book Frontiers in Computational Chemistry: Volume 2 written by Zaheer Ul-Haq and published by Elsevier. This book was released on 2015-12-16 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes 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. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methods Uniquely focuses on computational chemistry approaches that can accelerate drug design Makes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics

Molecular Descriptors for Chemoinformatics

Molecular Descriptors for Chemoinformatics

Author: Roberto Todeschini

Publisher: John Wiley & Sons

Published: 2009-10-30

Total Pages: 1257

ISBN-13: 9783527628773

DOWNLOAD EBOOK

The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.


Book Synopsis Molecular Descriptors for Chemoinformatics by : Roberto Todeschini

Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2009-10-30 with total page 1257 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.

Technological Interventions in Management of Irrigated Agriculture

Technological Interventions in Management of Irrigated Agriculture

Author: Megh R. Goyal

Publisher: CRC Press

Published: 2018-01-31

Total Pages: 332

ISBN-13: 1351790617

DOWNLOAD EBOOK

With a roster of international contributors, this volume offers an abundance of solutions to address agricultural water management challenges in today’s water-scarce areas of the world. The authors present studies on farmer-friendly irrigation scheduling methods, model-based analysis of crop water requirements, ways to optimize surface irrigation systems, and hydraulic design and management of surface water systems. The book goes on to highlight ways to improve soil properties by taking into account spatial, temporal, and spectral variability in soil properties. The volume also covers various innovative research studies on soil and water productivity of vegetable cultivation under water-stressed areas, application of coir geotextiles, and the role of biofertilizers in controlling soil degradation and maintaining fertile topsoil. Crop management strategies to enhance the efficient use of marginal and saline lands for nonconventional crops are also discussed. The book is divided into four sections, covering: engineering interventions in irrigation management technological interventions in management of soil properties technological inventions for soil and water conservation crop management for non-conventional use This volume will serve as an invaluable resource for academicians, researchers, engineers, agronomists, extension officers, students, and farmers in the broad discipline of agricultural and biological engineering.


Book Synopsis Technological Interventions in Management of Irrigated Agriculture by : Megh R. Goyal

Download or read book Technological Interventions in Management of Irrigated Agriculture written by Megh R. Goyal and published by CRC Press. This book was released on 2018-01-31 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: With a roster of international contributors, this volume offers an abundance of solutions to address agricultural water management challenges in today’s water-scarce areas of the world. The authors present studies on farmer-friendly irrigation scheduling methods, model-based analysis of crop water requirements, ways to optimize surface irrigation systems, and hydraulic design and management of surface water systems. The book goes on to highlight ways to improve soil properties by taking into account spatial, temporal, and spectral variability in soil properties. The volume also covers various innovative research studies on soil and water productivity of vegetable cultivation under water-stressed areas, application of coir geotextiles, and the role of biofertilizers in controlling soil degradation and maintaining fertile topsoil. Crop management strategies to enhance the efficient use of marginal and saline lands for nonconventional crops are also discussed. The book is divided into four sections, covering: engineering interventions in irrigation management technological interventions in management of soil properties technological inventions for soil and water conservation crop management for non-conventional use This volume will serve as an invaluable resource for academicians, researchers, engineers, agronomists, extension officers, students, and farmers in the broad discipline of agricultural and biological engineering.

Biological Activity of Natural Secondary Metabolite Products

Biological Activity of Natural Secondary Metabolite Products

Author: Toshio Morikawa

Publisher: MDPI

Published: 2018-09-20

Total Pages: 467

ISBN-13: 303897174X

DOWNLOAD EBOOK

This book is a printed edition of the Special Issue "Biological Activity of Natural Secondary Metabolite Products" that was published in IJMS


Book Synopsis Biological Activity of Natural Secondary Metabolite Products by : Toshio Morikawa

Download or read book Biological Activity of Natural Secondary Metabolite Products written by Toshio Morikawa and published by MDPI. This book was released on 2018-09-20 with total page 467 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Biological Activity of Natural Secondary Metabolite Products" that was published in IJMS

Artificial Neural Network for Drug Design, Delivery and Disposition

Artificial Neural Network for Drug Design, Delivery and Disposition

Author: Munish Puri

Publisher: Academic Press

Published: 2015-10-15

Total Pages: 442

ISBN-13: 0128017449

DOWNLOAD EBOOK

Artificial Neural Network for Drug Design, Delivery and Disposition provides an in-depth look at the use of artificial neural networks (ANN) in pharmaceutical research. With its ability to learn and self-correct in a highly complex environment, this predictive tool has tremendous potential to help researchers more effectively design, develop, and deliver successful drugs. This book illustrates how to use ANN methodologies and models with the intent to treat diseases like breast cancer, cardiac disease, and more. It contains the latest cutting-edge research, an analysis of the benefits of ANN, and relevant industry examples. As such, this book is an essential resource for academic and industry researchers across the pharmaceutical and biomedical sciences. Written by leading academic and industry scientists who have contributed significantly to the field and are at the forefront of artificial neural network (ANN) research Focuses on ANN in drug design, discovery and delivery, as well as adopted methodologies and their applications to the treatment of various diseases and disorders Chapters cover important topics across the pharmaceutical process, such as ANN in structure-based drug design and the application of ANN in modern drug discovery Presents the future potential of ANN-based strategies in biomedical image analysis and much more


Book Synopsis Artificial Neural Network for Drug Design, Delivery and Disposition by : Munish Puri

Download or read book Artificial Neural Network for Drug Design, Delivery and Disposition written by Munish Puri and published by Academic Press. This book was released on 2015-10-15 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: Artificial Neural Network for Drug Design, Delivery and Disposition provides an in-depth look at the use of artificial neural networks (ANN) in pharmaceutical research. With its ability to learn and self-correct in a highly complex environment, this predictive tool has tremendous potential to help researchers more effectively design, develop, and deliver successful drugs. This book illustrates how to use ANN methodologies and models with the intent to treat diseases like breast cancer, cardiac disease, and more. It contains the latest cutting-edge research, an analysis of the benefits of ANN, and relevant industry examples. As such, this book is an essential resource for academic and industry researchers across the pharmaceutical and biomedical sciences. Written by leading academic and industry scientists who have contributed significantly to the field and are at the forefront of artificial neural network (ANN) research Focuses on ANN in drug design, discovery and delivery, as well as adopted methodologies and their applications to the treatment of various diseases and disorders Chapters cover important topics across the pharmaceutical process, such as ANN in structure-based drug design and the application of ANN in modern drug discovery Presents the future potential of ANN-based strategies in biomedical image analysis and much more

Recent Trends on QSAR in the Pharmaeutical Perceptions

Recent Trends on QSAR in the Pharmaeutical Perceptions

Author: Mahmud Tareq Hassan Khan

Publisher: Bentham Science Publishers

Published: 2012

Total Pages: 407

ISBN-13: 1608053792

DOWNLOAD EBOOK

Quantitative Structure-Activity Relationship (QSAR) is a field where true multidisciplinary approaches are being used. This volume titled Recent Trends on QSAR in the Pharmaceutical Perceptions offers an overview on the latest advancements in the field.


Book Synopsis Recent Trends on QSAR in the Pharmaeutical Perceptions by : Mahmud Tareq Hassan Khan

Download or read book Recent Trends on QSAR in the Pharmaeutical Perceptions written by Mahmud Tareq Hassan Khan and published by Bentham Science Publishers. This book was released on 2012 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Structure-Activity Relationship (QSAR) is a field where true multidisciplinary approaches are being used. This volume titled Recent Trends on QSAR in the Pharmaceutical Perceptions offers an overview on the latest advancements in the field.

Russian Chemical Reviews

Russian Chemical Reviews

Author:

Publisher:

Published: 1999

Total Pages: 588

ISBN-13:

DOWNLOAD EBOOK


Book Synopsis Russian Chemical Reviews by :

Download or read book Russian Chemical Reviews written by and published by . This book was released on 1999 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: