Molecular Similarity in Drug Design by P.M. DeanMolecular Similarity in Drug Design by P.M. Dean

Molecular Similarity in Drug Design

byP.M. Dean

Paperback | September 21, 2012

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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.
Title:Molecular Similarity in Drug DesignFormat:PaperbackDimensions:342 pages, 23.5 × 15.5 × 0.02 inPublished:September 21, 2012Publisher:Springer-Verlag/Sci-Tech/TradeLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:9401045895

ISBN - 13:9789401045896

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Table of Contents

Defining molecular similarity and complementarity for drug design. 3D molecular similarity indices and their application in QSAR studies. The treatment of comformationally flexible molecules in similarity and complimentarity searching. Exploiting similarity between highly flexible and dissimilar molecular structures. Similarity-searching and clustering algorithms for processing databases of two-dimensional and three-dimensional chemical structures. Experiences with searching for molecular similarity in conformationally flexible 3D databases. Molecular surface comparisons. Neural networks in the search for similarity and structure-activity. Molecular similarity and complementarity based on the theory of atoms in molecules. Methods of molecular shape similarity and topological shape design. The application of molecular topology to drug design: topological descriptions of molecular shape. Comparative molecular field analysis (CoMFA). Index.