Chemical Library Design [Hardcover]

Chemical library technologies have brought about dramatic changes in the drug discovery process, and, though still evolving, they have become an integral part of ongoing drug discovery research. In Chemical Library Design, experts in the field provide methods and detailed protocols delving into this key process of selecting useful, biologically relevant compounds from large pools of synthesizable candidates. This compendium includes chapters on historical overviews, state-of-the-art methodologies, including structure-based and fragment-based library design, practical software tools, and successful and important applications of chemical library design. As a volume in the popular Methods in Molecular Biology series, the thorough contributions provide the kind of meticulous description and implementation advice that is crucial for getting optimal results.Authoritative and cutting-edge, Chemical Library Design is an ideal reference for all scientists seeking the technology needed to aid in the search for new and vital drugs.Chemical library technology has led to big changes in the drug discovery process. Here, experts provide methods and detailed protocols covering this key process of selecting useful, biologically relevant compounds from large pools of synthesizable candidates.Part I: General Topics1. Historical Overview of Chemical Library DesignRoland E. Dolle2. Chemoinformatics and Library DesignJoe Zhongxiang Zhou3. Molecular Library Design Using Multi-Objective Optimization MethodsChristos A Nicolaou and Christos C. Kannas4. A Scalable Approach to Combinatorial Library DesignPuneet Sharma, Srinivasa Salapaka, and Carolyn Beck5. Application of Free-Wilson Selectivity Analysis for Combinatorial Library DesignSimone Sciabola, Robert V. Stanton, Theresa L. Johnson, and Hualin Xi6. Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library DesignJerry O. Ebalunode, Weifan Zheng, and Alexander Tropsha7. Combinatorial Library DesignlóÑ