Neural Networks In Qsar And Drug Design
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Neural Networks In Qsar And Drug Design
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Author : James Devillers
language : en
Publisher: Academic Press
Release Date : 1996-08-09
Neural Networks In Qsar And Drug Design written by James Devillers and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-08-09 with Science categories.
Comprehensive and impeccably edited, Neural Networks in QSAR and Drug Design is the first book to present an all-inclusive coverage of the topic. The book provides a practice-oriented introduction to the different neural network paradigms, allowing the reader to easily understand and reproduce the results demonstrated. Numerous examples are detailed, demonstrating a variety of applications to QSAR and drug design. The contributors include some of the most distinguished names in the field, and the book provides an exhaustive bibliography, guiding readers to all the literature related to a particular type of application or neural network paradigm. The extensive index acts as a guide to the book, and makes retrieving information from chapters an easy task. A further research aid is a list of software with indications of availablility and price, as well as the editors scale rating the ease of use and interest/price ratio of each software package. The presentation of new, powerful tools for modeling molecular properties and the inclusion of many important neural network paradigms, coupled with extensive reference aids, makes Neural Networks in QSAR and Drug Design an essential reference source for those on the frontiers of this field. Presents the first coverage of neural networks in QSAR and Drug Design Allows easy understanding and reproduction of the results described within Includes an exhaustive bibliography with more than 200 references Provides a list of applicable software packages with availability and price
Neural Networks In Qsar And Drug Design
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Author : James Devillers
language : en
Publisher:
Release Date : 2021
Neural Networks In Qsar And Drug Design written by James Devillers and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with categories.
Artificial Neural Network For Drug Design Delivery And Disposition
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Author : Munish Puri
language : en
Publisher: Academic Press
Release Date : 2015-10-15
Artificial Neural Network For Drug Design Delivery And Disposition written by Munish Puri and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-15 with Computers categories.
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
Cheminformatics Qsar And Machine Learning Applications For Novel Drug Development
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Author : Kunal Roy
language : en
Publisher: Elsevier
Release Date : 2023-05-23
Cheminformatics Qsar And Machine Learning Applications For Novel Drug Development written by Kunal Roy and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-23 with Medical categories.
Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, chemoinformatics and chemometric approaches, and machine learning methods in drug design. The second part focuses on methods and case studies including molecular descriptors, molecular similarity, structure-based based screening, homology modeling in protein structure predictions, molecular docking, stability of drug receptor interactions, deep learning and support vector machine in drug design. The third part of the book is dedicated to special topics, including dedicated chapters on topics ranging from de design of green pharmaceuticals to computational toxicology. The final part is dedicated to present the available tools and databases, including QSAR databases, free tools and databases in ligand and structure-based drug design, and machine learning resources for drug design. The final chapters discuss different web servers used for identification of various drug candidates. Presents chemometrics, cheminformatics and machine learning methods under a single reference Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design Highlights special topics of computational drug design and available tools and databases
Adaptive Systems In Drug Design
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Author : Gisbert Schneider
language : en
Publisher: Eurekah.com
Release Date : 2003
Adaptive Systems In Drug Design written by Gisbert Schneider and has been published by Eurekah.com this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Medical categories.
Major concepts in the field of drug design are described in this book, with a strong focus on complex adaptive systems. Special emphasis is placed on neural network applications and evolutionary algorithms. The book is meant to complement a text on computational chemistry and bioinformatices and to present some new challenging ideas. A conceptual framework is presented for the use of adaptive systems and evolutionary algorithms, then the concept of chemical space is discussed and numerous examples of algorithms for classical unsupervised projection methods are given. The use of evolutionary algorithms and artificial neural networks in quantitative structure- activity relationships is discussed, and the drug-likeness concepts is explained. A final chapter examines the utility of evolutionary method in de novo molecular design. Schneider teaches cheminformatics at Johann Wolfgang Goethe University in Germany. So is affiliated with F. Hoffman-La Roche, Inc. Annotation copyrighted by Book News, Inc., Portland, OR
Neural Networks In Chemistry And Drug Design
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Author : Jure Zupan
language : en
Publisher: Wiley-VCH
Release Date : 1999-10-25
Neural Networks In Chemistry And Drug Design written by Jure Zupan and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-10-25 with Science categories.
The second edition of this highly regarded text has been substantially expanded. Part VI "Applications" is updated from 12 to 21 examples with a new focus on applications in the area of drug design. From reviews of the first edition: ?This book offers a sound introduction to artificial neuronal networks, with insights into their architecture, functioning, and applications, which is intended not only for chemists... The excellent quality of the contents and the presentation should ensure that it reaches a wide international readership.?(Angewandte Chemie) 'One of the most useful aspects of the book is a walk-through of the whole process for each application: experimental design, choice and organization of the data, selection of network architecture and parameters, and analysis of the results... The careful approach embodied in this book is an antidote to the hype which has attended neuronal networks in recent years.' (Journal of the American Chemical Society) '... highly recommended ... could become a scientific bestseller ...' (Spectroscopy Europe) 'The attractive and clear presentation of this book make it recommendable to the complete novice.' (The Analyst) 'We strongly recommend it for library purchase and it will be a useful text for lecture courses.' (Chemistry & Industry)
3d Qsar In Drug Design
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Author : Hugo Kubinyi
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
3d Qsar In Drug Design written by Hugo Kubinyi and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-04-11 with Science categories.
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series. 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.
Advanced Computer Assisted Techniques In Drug Discovery
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Author : Han van de Waterbeemd
language : en
Publisher: John Wiley & Sons
Release Date : 2008-09-26
Advanced Computer Assisted Techniques In Drug Discovery written by Han van de Waterbeemd and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-09-26 with Science categories.
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.
Computational Methods In Drug Design
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Author :
language : en
Publisher:
Release Date : 1993
Computational Methods In Drug Design written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Drugs categories.
Drug Design Using Machine Learning
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Author : Inamuddin
language : en
Publisher: John Wiley & Sons
Release Date : 2022-10-04
Drug Design Using Machine Learning written by Inamuddin and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-04 with Medical categories.
DRUG DESIGN USING MACHINE LEARNING The use of machine learning algorithms in drug discovery has accelerated in recent years and this book provides an in-depth overview of the still-evolving field. The objective of this book is to bring together several chapters that function as an overview of the use of machine learning and artificial intelligence applied to drug development. The initial chapters discuss drug-target interactions through machine learning for improving drug delivery, healthcare, and medical systems. Further chapters also provide topics on drug repurposing through machine learning, drug designing, and ultimately discuss drug combinations prescribed for patients with multiple or complex ailments. This excellent overview Provides a broad synopsis of machine learning and artificial intelligence applications to the advancement of drugs; Details the use of molecular recognition for drug development through various mathematical models; Highlights classical as well as machine learning-based approaches to study target-drug interactions in the field of drug discovery; Explores computer-aided technics for prediction of drug effectiveness and toxicity. Audience The book will be useful for information technology professionals, pharmaceutical industry workers, engineers, university researchers, medical practitioners, and laboratory workers who have a keen interest in the area of machine learning and artificial intelligence approaches applied to drug advancements.