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Neural Networks in Chemistry and Drug Design, 2nd Edition, by Jure Zupan, Johann Gasteiger
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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)
- Sales Rank: #4980956 in Books
- Brand: Brand: Wiley-VCH
- Published on: 1999-10-01
- Original language: English
- Number of items: 1
- Dimensions: 10.93" h x .98" w x 8.13" l, .0 pounds
- Binding: Hardcover
- 380 pages
- Used Book in Good Condition
Review
�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)
�The book can be strongly recommended both for experienced chemists and beginners who want to learn neuronal networks.� (Trends in Analytical Chemistry)
�This textbook is an excellent introduction to the theory and practice of neuronal networks for all computationally oriented chemists who are interested in their chemical applications.` (Theoretica Chimica Acta)
�... I recommend this book to all libraries and research insitutions concerned with this fascinating and expanding field.� (Chemometrics and Intelligent Laboratory Systems)
�... offers a wealth of useful information and practical guidance in a burgeoning new area of chemical research.� ( Chemistry in Britain)
�While this book is a must for anyone contemplating the use of ANNs the clarity of thought in the analysis of these various problems is very exciting.� (NIR news)
�We strongly recommend it for library purchase and it will be a useful text for lecture courses.� (Chemistry & Industry)
From the Back Cover
Jure Zupan, Johann Gasteiger Neural Networks in Chemistry and Drug Design Second Edition 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)
Most helpful customer reviews
1 of 2 people found the following review helpful.
Good for newcomers to this technique
By W Boudville
The book is a measure of how neural networks have moved from a lot of hype into being a practical research technique. Zupan carefully explains the key concepts behind single and multilayer networks to an audience that he knows will not be familiar with most of the ideas. The level of maths is not trivial, but should be understandable to any chemist who has ploughed through several courses on quantum theory.
The book applies the networks to designing drugs. Given the inherent black box nature of the nonlinear feedbacks during the training steps, the book's detailed explanations should be reassuring to those using networks for the first time.
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