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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Fundamentals of Molecular Similarity (Hardcover, 2001 ed.)
Loot Price: R3,191
Discovery Miles 31 910
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Fundamentals of Molecular Similarity (Hardcover, 2001 ed.)
Series: Mathematical and Computational Chemistry
Expected to ship within 10 - 15 working days
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In recent years the fundamental concepts and applied methodologies
of molecular similarity analysis have experienced a revolutionary
development. Motivated by the increased degree of understanding of
elementary molecular properties on the levels ranging from
fundamental quantum chemistry to the complex interactions of
biomolecules, and aided by the spectacular progress in computer
technology and access to computer power, the area has opened up to
many new ideas and new approaches. This book covers topics in
quantum similarity approaches, electron density shape analysis
methods, and it provides better theoretical understanding of
molecular similarity. Additionally, quantitative shape analysis,
especially activity relations (QShAR) and the prediction of the
pharmacological or toxicological effects of molecules in the
related context of quantum QSAR (QQSAR). This volume written by the
experts in the various subfields of molecular similarity, provides
a collection of the most recent ideas, advances, and methodologies.
It is the hope of the Editors that by representing these topics
within a single volume, the readers will find a balanced overview
of the status of the field. We also hope that the book will serve
as a tool for selecting and assessing the best approach for various
new types of problems of molecular similarity that may arise and it
will provide a set of easy references for further studies and
applications.
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