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Molecular Similarity in Drug Design Book

Molecular Similarity in Drug Design
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Molecular Similarity in Drug Design, 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 c, Molecular Similarity in Drug Design
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  • Molecular Similarity in Drug Design
  • Written by author P.M. Dean
  • Published by Springer-Verlag New York, LLC, 1/28/2013
  • 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 c
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Book Categories

Authors

1 Defining molecular similarity and complementarity for drug design 1
2 3D molecular similarity indices and their application in QSAR studies 24
3 The treatment of conformationally flexible molecules in similarity and complementarity searching 57
4 Exploiting similarity between highly flexible and dissimilar molecular structures 89
5 Similarity-searching and clustering algorithms for processing databases of two-dimensional and three-dimensional chemical structures 110
6 Experiences with searching for molecular similarity in conformationally flexible 3D databases 138
7 Molecular surface comparisons 163
8 Neural networks in the search for similarity and structure-activity 187
9 Molecular similarity and complementarity based on the theory of atoms in molecules 215
10 Methods of molecular shape similarity and topological shape design 241
11 The application of molecular topology to drug design - topological descriptions of molecular shape 269
12 Comparative molecular field analysis (CoMFA) 291
Index 333


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Molecular Similarity in Drug Design, 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 c, Molecular Similarity in Drug Design

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Molecular Similarity in Drug Design, 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 c, Molecular Similarity in Drug Design

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