Foreword

In the middle 1960’s, there arose a significant number of approaches to the quantitation of molecular attributes influencing their behavior and function. These approaches took the form of some physical properties and various approaches to quantitate molecular structure. Since molecular structure is an attribute most directly correlateable with function, this approach prospered and led to a number of useful methods at that time. These included molecular orbital theory, graph theory, information theory and some spatial quantitative methods. As we begin the second half of this century of study, we have on hand a plethora of methods to achieve these goals. The extent of this burgeoning has given rise to a descriptive categorical term, Mathematical Chemistry.

This volume appears on the scene to celebrate the emergence of Mathematical Chemistry in its second half century. It brings to the molecular scientist several new approaches plus the introduction of variations on existing ideas. The editors of this text have wisely and thoroughly gathered together a broad representation of contributions. About a half of the book contains contributions of scientists active in the life sciences. These chapters focus primarily on methods of creating models of drug function relative to molecular structure. This realm of applications of mathematical chemistry has contributed significantly over the years to the process of drug design. We would still be in the empirical realm of trial and error to find a new drug, without the role of structure-activity models using many good methods.

The other half of the chapters describes current work, new applications, and new approaches to quantitation of the essential aspects of molecular structure. The imaginative ideas flowing through these chapters are quite impressive. It creates a text that should be on the shelf of every scientist working quantitatively at the molecular level. There is a stimulation arising from the book that will excite the creativity in many readers. Such a book is essential in every field of science where periodic overview and exposure to new ideas is essential.

Congratulations to the authors who have contributed to the book and congratulations to the editors who have selected the mix of articles and authors.