Neural networks in chemistry and drug design /

Neural networks in chemistry and drug design /

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Hlavní autor: Zupan, Jure
Další autoři: Gasteiger, J. (Johann)
Médium: Kniha
Jazyk:English
Vydáno: Weinheim ; Chichester : Wiley-VCH, c1999.
Vydání:2nd ed.
Témata:
Chemistry > Data processing.
Neural networks (Computer science)
Drugs > Design.
On-line přístup:Table of contents
Publisher description
Obsah:
  • Machine derived contents note: Basic Concepts.
  • Defining the Area.
  • Neuron.
  • Linking Neurons into Networks.
  • One-Layer Networks.
  • Hopfield Network.
  • Adaptive Bidirectional Associative Memory (ABAM).
  • Kohonen Network.
  • Multilayer Networks.
  • Counter-Propagation.
  • Back-Propagation of Errors.
  • Applications.
  • General Comments on Chemical Applications.
  • Clustering of Multi-Component Analytical 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.

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