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Virtual Screening for Bioactive Molecules Book

Virtual Screening for Bioactive Molecules
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Virtual Screening for Bioactive Molecules, Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typi, Virtual Screening for Bioactive Molecules
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  • Virtual Screening for Bioactive Molecules
  • Written by author Hans-Joachim Bohm, Gisbert Schneider, Hugo Kubinyi, Raimund Mannhold, Hendrik Timmerman
  • Published by Wiley VCH, 2000/10/10
  • Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typi
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Book Categories

Authors

Preface
A Personal Foreword
List of Contributors
Prologue
1 High-Throughput Screening and Virtual Screening: Entry Points to Drug Discovery 1
2 Library Filtering Systems and Prediction of Drug-Like Properties 15
3 Prediction of Physicochemical Properties 33
4 Descriptor-Based Similarity Measures for Screening Chemical Databases 59
5 Modelling Structure - Activity Relationships 81
6 Database Profiling by Neural Networks 117
7 Pharmacophore Pattern Application in Virtual Screening, Library Design and QSAR 131
8 Evolutionary Molecular Design in Virtual Fitness Landscapes 161
9 Practical Approaches to Evolutionary Design 187
10 Understanding Receptor - Ligand Interactions as a Prerequisite for Virtual Screening 207
11 Structure-Based Library Design 229
12 The Measurement of Molecular Diversity 265
Index 301


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Virtual Screening for Bioactive Molecules, Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typi, Virtual Screening for Bioactive Molecules

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Virtual Screening for Bioactive Molecules, Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typi, Virtual Screening for Bioactive Molecules

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