Drug design strategies : quantitative approaches
David J. Livingstone, A. M. Davis · 2012
Preface The Evolution of Quantitative Drug Design Drug-Like Physicochemical Properties Development of QSAR The Development of Molecular Modelling Programs: The Use and Limitations of Physical Models Contribution of Structure-based Drug Design to the Discovery of Marketed Drugs Representing Chemical Structures in Databases for Drug Design Modeling Chemical Structure-Log P Characterising Chemical Structure using Physicochemical Descriptors Assessing Quantitative Model Quality and Performance Application of Modelling Techniques Expert Systems: The Use of Expert Systems in Drug Design - Toxicity and Metabolism Ligand-Based Modeling of Toxicity Design of Chemical Libraries The Impact of Genomics, Systems Biology, and Bioinformatics on Drug and Target Discovery: Challenge and Opportunity Scoring Drug-Receptor Interactions Modelling Chemicals in the Environment.