Neural networks for chemists : an introduction

著者

書誌事項

Neural networks for chemists : an introduction

Jure Zupan and Johann Gasteiger

VCH, c1993

  • : Weinheim
  • : New York

大学図書館所蔵 件 / 全5件

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

This textbook offers chemists insights into the much discussed - and often not fully understood - concept of neural networks. It starts by describing the fundamental principles, and pinpoints the five most widely used neural networks and learning strategies, illustrating them with lucid examples. The second part of the book helps chemists to get a grip on neural networks by showing them numerous applications from diverse fields. These include analytical chemistry and spectroscopy; process control and optimization of product composition; reactivity of organic compounds and QSAR; maps of electrostatic potentials; and secondary structures of proteins. This self-study guide leads both students and professionals from introductory principles to practical application. It aims to enable readers to apply neural networks to their problems, either with a commercial neural network package or with a self-made programme.

目次

  • Part 1 Basic concepts: defining the area
  • neuron
  • linking neurons into neurons. Part 2 One-layer networks: Hopfield network
  • adaptive bidirectional associative memory (ABAM)
  • Kohonen network. Part 3 Multilayer networks: counter-propagation
  • back-propagation of errors. Part 4 Applications: general applications
  • chemistry oriented applications.

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