Neural Networks in QSAR and Drug Design

James Devillers

• Publisher: Academic Press
• Year: 1996
• Print ISBN:
  9780122138157
• eBook ISBN:
  9780080537382
• Topic: Technology & Engineering
• Subtopic: Psychiatry & Mental Health
• Index: Technology & Engineering

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

Table of contents

• Front Cover
• Neural Networks in QSAR and Drug Design
• Copyright Page
• Contents
• Contributors
• Preface
• Chapter 1. Strengths and Weaknesses of the Backpropagation Neural Network in QSAR and QSPR Studies
• Chapter 2. AUTOLOGP Versus Neural Network Estimation of n-Octanol/Water Partition Coefficients
• Chapter 3. Use of a Backpropagation Neural Network and Autocorrelation Descriptors for Predicting the Biodegradation of Organic Chemicals
• Chapter 4. Structure–Bell-Pepper Odor Relationships for Pyrazines and Pyridines Using Neural Networks
• Chapter 5. A Neural Structure–Odor Threshold Model for Chemicals of Environmental and Industrial Concern
• Chapter 6. Adaptive Resonance Theory Based Neural Networks Explored for Pattern Recognition Analysis of QSAR Data
• Chapter 7. Multivariate Data Display Using Neural Networks
• Chapter 8. Quantitative Structure–Activity Relationships of Nicotinic Agonists
• Chapter 9. Evaluation of Molecular Surface Properties Using a Kohonen Neural Network
• Chapter 10. A New Nonlinear Neural Mapping Technique for Visual Exploration of QSAR Data
• Chapter 11. Combining Fuzzy Clustering and Neural Networks to Predict Protein Structural Classes
• Index
• Color Plate Section