In the study of various phenomena in nature, the concept of
similarity plays a fundamental role. Chemistry is no exception; the
similarity of molecules, both in their physical properties and in
their chemical reactions, provides a basis for their
classification, characterization, and scientific description.
Ultimately, the recognition and analysis of molecular similarities
serve as the basis of an understanding of molecular structures and
properties, and rep resent the first steps in the development of
theoretical models explaining chemical behavior. In this role,
molecular similarity is the foundation of predictive models in
chemistry. Molecular similarity and molecular reactivity are
strongly related. Studying the reactivities of molecules is an
important tool for detecting molecular similarities and
differences; alternatively, similar molecular properties often
imply similar reactivities. This latter aspect is of special value,
allowing chemists to make predictions concerning the outcomes of
chemical reactions based on molecular similarities. In this book,
the central theme, molecular similarity, is discussed from a
variety of viewpoints covering the range from rigorous quantum
chemical approaches to phenomenological observations expressed
within appropriate physical and mathematical frameworks. The
authors of the various chapters represent some of the most current
fields of research on molecular similarity. It is the hope of the
editor that by bringing these subjects together under the cover of
this book will provide the readers with a broad perspective and a
handy reference of the contemporary approaches to similarity
analysis of molecules and reactions."
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