Neural Networks In Chemistry And Drug Design

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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)

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

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

Artificial Intelligence In Drug Discovery

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Author : Nathan Brown
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-11-04

Artificial Intelligence In Drug Discovery written by Nathan Brown and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-04 with Computers categories.

Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.

Machine Learning In Chemistry

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Author : Jon Paul Janet
language : en
Publisher: American Chemical Society
Release Date : 2020-05-28

Machine Learning In Chemistry written by Jon Paul Janet and has been published by American Chemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-05-28 with Science categories.

Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important

Neural Networks For Chemists

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Author : Jure Zupan
language : en
Publisher:
Release Date : 1993

Neural Networks For Chemists written by Jure Zupan and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Chemistry categories.

Artificial Intelligence In Drug Design

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Author : Alexander Heifetz
language : en
Publisher: Humana
Release Date : 2022-11-05

Artificial Intelligence In Drug Design written by Alexander Heifetz and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-05 with Medical categories.

This volume looks at applications of artificial intelligence (AI), machine learning (ML), and deep learning (DL) in drug design. The chapters in this book describe how AI/ML/DL approaches can be applied to accelerate and revolutionize traditional drug design approaches such as: structure- and ligand-based, augmented and multi-objective de novo drug design, SAR and big data analysis, prediction of binding/activity, ADMET, pharmacokinetics and drug-target residence time, precision medicine and selection of favorable chemical synthetic routes. How broadly are these approaches applied and where do they maximally impact productivity today and potentially in the near future. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique, Artificial Intelligence in Drug Design is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists and drug designers.

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.

Neural Networks For Chemists

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Author : Jure Zupan
language : en
Publisher: Wiley-VCH Verlag GmbH
Release Date : 1993

Neural Networks For Chemists written by Jure Zupan and has been published by Wiley-VCH Verlag GmbH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Computers categories.

Adaptive Systems In Drug Design

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Author : Gisbert Schneider
language : en
Publisher: CRC Press
Release Date : 2002-10-01

Adaptive Systems In Drug Design written by Gisbert Schneider and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-10-01 with Science categories.

A brief history of drug design presented to make clear that there are fashions in this important field and that they change rather rapidly. This is due in part to the fact that the way that a new paradigm is accepted in a drug company often does not depend on its scientific merit alone.