Series Editor's Forward

Oxford Chemistry Primers are designed to provide clear and concise introductions to a wide range of the topics that may be encountered by chemistry students as they progress from the freshman stage through to graduation. The Physical Chemistry series is designed to contain books easily recognized as relating to established fundamental core material that all chemists will need to know, as well as books reflecting new directions and research trends in the subject, thereby anticipating (and perhaps encouraging) the evolution of modern undergraduate courses.

In this, the first Physical Chemistry Primer, Hugh Cartwright has produced a stimulating and easy-to-read account of the use of Artificial Intelligence in Chemistry. This is an emergent topic which is expected to facilitate the study of new types of problems within chemistry. This Primer will interest all students (and their mentors) who wish to see how modern computational approaches can transform the methodology of science.

Richard G. Compton, Physical Chemistry Laboratory, University of Oxford.

Preface

The tools of science are changing. Within the past decade, computers have become as crucial in science as chemicals or spectrometers. Recently there have been even more far-reaching developments: artificial intelligence has spread to the laboratory, where it promises to have a profound effect upon scientific practice.

Several powerful techniques, which emulate humnan thought and reasoning, constitute the area of artificial intelligence, one of the most fascinating and exciting in science. Problems in this area abound. They may appear complex and intractable when tackled using traditional methods of solution, but artificial intelligence methods are solving them with growing success.

As these new intelligent methods expand in power, scientists are turning to them increasingly to help both in everyday tasks, and, more dramatically, to develop new scientific theory and understanding. This book provides a non-mathematical introduction to this intriguing subject and its potential. In it we investigate the nature of Artificial Intelligence, how it is applied, and how in the coming decades it will assume an increasingly fundamental role within science.

Many people contributed to this primer. My students Stephen Harris, Nats Imai and Rob Long, and my daughter Jenny, read drafts and made many useful suggestions. John Freeman's excellent diagrams are a vital part of the book. The series editor Richard Compton and OUP provided expert editorial help. Above all, my wife Susie and daughter Jenny offered constant support and encouragement. I am grateful to them all.

Hugh Cartwright's Home Page