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       IM Publications LLP :: NIR Spectroscopy :: Neural Networks in Chemistry and Drug Design-2nd Edn

 

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Neural Networks in Chemistry and Drug Design-2nd Edn
Neural Networks in Chemistry and Drug Design-2nd Edn 
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
  • 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 and 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)

  10%
 
 
Contents

  • Defining the Area
  • Neuron
  • Linking Neurons into Networks
  • Hopfield Network
  • Adaptive Bidirectional Associative Memory (ABAM)
  • Kohonen Network
  • Counter-Propagation
  • Back-Propagation of Errors
  • General Comments on Chemical Applications
  • Clustering of Multi-Component Analytcal Data for Olive Oils
  • The Reactivity of Chemical Bonds and the Classification of Chemical Reactions
  • HPLC Optimization of Wine Analysis
  • Quantitative Structure-Activity Relationships
  • The Electrophilic Aromatic Substitution Reaction
  • Modeling and Optimizing a Recipe for a Paint Coating
  • Fault Detection and Process Control
  • Secondary Structure of Proteins
  • Infrared Spectrum-Structure Correlation
  • Properties of Molecular Surfaces
  • Libraries of Chemical Compounds
  • Representation of Chemical Structures
  • Prospects of Neural Networks for Chemical Applications
  • Appendices


Details
 
AUTHOR(S)/ED(S) Jure Zupan, Johann Gasteiger
BINDING Paperback
PUBLISHED 1999
NO. PAGES 402
AVAILABILITY In stock for immediate despatch

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£42.75

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