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Molecular Similarity in Drug Design P.M. Dean

Molecular Similarity in Drug Design By P.M. Dean

Molecular Similarity in Drug Design by P.M. Dean


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Summary

Molecular similarity searching is fast becoming a key tool in organic chemistry. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.

Molecular Similarity in Drug Design Summary

Molecular Similarity in Drug Design by P.M. Dean

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.

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.

Additional information

NPB9780751402216
9780751402216
0751402214
Molecular Similarity in Drug Design by P.M. Dean
New
Hardback
Chapman and Hall
19941231
342
N/A
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
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