Fundamentals of Molecular Similarity (Paperback, Softcover reprint of hardcover 1st ed. 2001)

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.

General

Imprint:	Springer-Verlag New York
Country of origin:	United States
Series:	Mathematical and Computational Chemistry
Release date:	December 2010
First published:	2001
Editors:	Ramon Carbo-Dorca • Paul G. Mezey
Dimensions:	254 x 178 x 19mm (L x W x T)
Format:	Paperback
Pages:	341
Edition:	Softcover reprint of hardcover 1st ed. 2001
ISBN-13:	978-1-4419-3344-7
Categories:	Books > Professional & Technical > Environmental engineering & technology > General Books > Science & Mathematics > Chemistry > Physical chemistry > General
LSN:	1-4419-3344-1
Barcode:	9781441933447

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