Knowledge-based Expert Systems in Chemistry
eBook - ePub

Knowledge-based Expert Systems in Chemistry

Artificial Intelligence in Decision Making

  1. 284 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Knowledge-based Expert Systems in Chemistry

Artificial Intelligence in Decision Making

About this book

There have been significant developments in the use of knowledge-based expert systems in chemistry since the first edition of this book was published in 2009. This new edition has been thoroughly revised and updated to reflect the advances.

The underlying theme of the book is still the need for computer systems that work with uncertain or qualitative data to support decision-making based on reasoned judgements. With the continuing evolution of regulations for the assessment of chemical hazards, and changes in thinking about how scientific decisions should be made, that need is ever greater. Knowledge-based expert systems are well established in chemistry, especially in relation to toxicology, and they are used routinely to support regulatory submissions. The effectiveness and continued acceptance of computer prediction depends on our ability to assess the trustworthiness of predictions and the validity of the models on which they are based.

Written by a pioneer in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry.

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Yes, you can access Knowledge-based Expert Systems in Chemistry by Philip Judson in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Artificial Intelligence (AI) & Semantics. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Cover
  2. Title Page
  3. Copyright Page
  4. Preface
  5. Contents
  6. Chapter 1 Artificial Intelligence – Making Use of Reasoning
  7. Chapter 2 Synthesis Planning by Computer
  8. Chapter 3 Other Programs to Support Chemical Synthesis Planning
  9. Chapter 4 International Repercussions of the Harvard LHASA Project
  10. Chapter 5 Current Interest in Synthesis Planning by Computer
  11. Chapter 6 Structure Representation
  12. Chapter 7 Structure, Substructure and Superstructure Searching
  13. Chapter 8 Protons That Come and Go
  14. Chapter 9 Aromaticity and Stereochemistry
  15. Chapter 10 DEREK – Predicting Toxicity
  16. Chapter 11 Other Alert-based Toxicity Prediction Systems
  17. Chapter 12 Rule Discovery
  18. Chapter 13 The 2D–3D Debate
  19. Chapter 14 Making Use of Reasoning: Derek for Windows
  20. Chapter 15 Predicting Metabolism
  21. Chapter 16 Relative Reasoning
  22. Chapter 17 Predicting Biodegradation
  23. Chapter 18 Other Applications and Potential Applications of Knowledge-based Prediction in Chemistry
  24. Chapter 19 Combining Predictions
  25. Chapter 20 The Adverse Outcome Pathways Approach
  26. Chapter 21 Evaluation of Knowledge-based Systems
  27. Chapter 22 Validation of Computer Predictions
  28. Chapter 23 Artificial Intelligence Developments in Other Fields
  29. Chapter 24 A Subjective View of the Future
  30. Subject Index