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Molecular Similarity in Drug Design - P. M. Dean

Molecular Similarity in Drug Design

By: P. M. Dean (Editor)

Paperback ISBN: 9780751402216
Number Of Pages: 342

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Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.

Defining molecular similarity and complementarity for drug designp. 1
3D molecular similarity indices and their application in QSAR studiesp. 24
The treatment of conformationally flexible molecules in similarity and complementarity searchingp. 57
Exploiting similarity between highly flexible and dissimilar molecular structuresp. 89
Similarity-searching and clustering algorithms for processing databases of two-dimensional and three-dimensional chemical structuresp. 110
Experiences with searching for molecular similarity in conformationally flexible 3D databasesp. 138
Molecular surface comparisonsp. 163
Neural networks in the search for similarity and structure-activityp. 187
Molecular similarity and complementarity based on the theory of atoms in moleculesp. 215
Methods of molecular shape similarity and topological shape designp. 241
The application of molecular topology to drug design - topological descriptions of molecular shapep. 269
Comparative molecular field analysis (CoMFA)p. 291
Indexp. 333
Table of Contents provided by Blackwell. All Rights Reserved.

ISBN: 9780751402216
ISBN-10: 0751402214
Audience: General
Format: Paperback
Language: English
Number Of Pages: 342
Country of Publication: GB
Dimensions (cm): 23.39 x 15.6  x 2.06
Weight (kg): 0.69

Earn 746 Qantas Points
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