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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Fundamental Principles of Molecular Modeling (Hardcover, 1996 ed.)
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Fundamental Principles of Molecular Modeling (Hardcover, 1996 ed.)
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Molecular similarity has always been an important conceptual tool
of chemists, yet systematic approaches to molecular similarity
problems have only recently been recognized as a major contributor
to our understanding of molecular properties. Advanced approaches
to molecular similarity analysis have their foundation in quantum
similarity measures, and are important direct or indirect
contributors to some of the predictive theoretical, computational,
and also experimental methods of modern chemistry. This volume
provides a survey of the foundations and the contemporary
mathematical and computational methodologies of molecular
similarity approaches, where special emphasis is given to
applications of similarity studies to a range of practical and
industrially significant fields, such as pharmaceutical drug
design. The authors of individual chapters are leading experts in
various sub-fields of molecular similarity analysis and the related
fundamental theoretical chemistry topics, as well as the relevant
computational and experimental methodologies. Whereas in each
chapter the emphasis is placed on a different area, nevertheless,
the overall coverage and the wide scope of the book provides the
reader with a general yet sufficiently detailed description that
may serve as a good starting point for new studies and applications
of molecular similarity approaches. The editors of this volume are
grateful to the authors for their contributions, and hope that the
readers will find this book a useful and motivating source of
information in the rapidly growing field of molecular similarity
analysis.
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