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Advanced Computer-Assisted Techniques in Drug Discovery Book

Advanced Computer-Assisted Techniques in Drug Discovery
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Advanced Computer-Assisted Techniques in Drug Discovery, The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The, Advanced Computer-Assisted Techniques in Drug Discovery
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  • Advanced Computer-Assisted Techniques in Drug Discovery
  • Written by author Han van de Waterbeemd
  • Published by Wiley, John & Sons, Incorporated, 12/9/1994
  • The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The
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Authors

Preface
A Personal Foreword
1 Introduction 1
2 3D QSAR: The Integration of QSAR with Molecular Modeling 9
Chemometrics and Molecular Modeling 9
3D QSAR Methods 39
GOLPE: Philosophy and Applications in 3D QSAR 61
3 Rational Use of Chemical and Sequence Databases 89
Molecular Similarity Analysis: Applications in Drug Discovery 89
Clustering of Chemical Structure Databases for Compound Selection 111
Receptor Mapping and Phylogenetic Clustering 131
4 Advanced Statistical Techniques 163
Continuum Regression: A New Algorithm for the Prediction of Biological Activity 163
Molecular Taxonomy by Correspondence Factorial Analysis (CFA) 190
Analysis of Embedded Data: k-Nearest Neighbor and Single Class Discrimination 228
Quantitative Analysis of Structure-Activity-Class Relationships by (Fuzzy) Adaptive Least Squares 244
Alternating Conditional Expectations in QSAR 281
5 Neural Networks and Expert Systems in Molecular Design 293
Neural Networks - A Tool for Drug Design 293
Rule Induction Applied to the Derivation of Quantitative Structure-Activity Relationships 319
Index 333


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Advanced Computer-Assisted Techniques in Drug Discovery, The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The, Advanced Computer-Assisted Techniques in Drug Discovery

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Advanced Computer-Assisted Techniques in Drug Discovery, The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The, Advanced Computer-Assisted Techniques in Drug Discovery

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Advanced Computer-Assisted Techniques in Drug Discovery, The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The, Advanced Computer-Assisted Techniques in Drug Discovery

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