Chemical Library Design

Historical Overview of Chemical Library Design.- Chemoinformatics and Library Design.- Molecular Library Design Using Multi-Objective Optimization Methods.- A Scalable Approach to Combinatorial Library Design.- Application of Free-Wilson Selectivity Analysis for Combinatorial Library Design.- Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design.- Combinatorial Library Design from Reagent Pharmacophore Fingerprints.- Docking Methods for Structure-Based Library Design.- Structure-Based Library Design in Efficient Discovery of Novel Inhibitors.- Structure-Based and Property-Compliant Library Design of 11 -HSD1 Adamantyl Amide Inhibitors.- Design of Screening Collections for Successful Fragment-Based Lead Discovery.- Fragment-Based Drug Design.- LEAP into the Pfizer Global Virtual Library (PGVL) Space: Creation of Readily Synthesizable Design Ideas Automatically.- The Design, Annotation, and Application of a Kinase-Targeted-Library.- PGVL Hub: An Integrated Desktop Tool for Medicinal Chemists to Streamline Design and Synthesis of Chemical Libraries and Singleton Compounds.- Design of Targeted Libraries Against the Human Chk1 Kinase Using PGVL Hub.- GLARE: A Tool for Product-Oriented Design of Combinatorial Libraries.- CLEVER: A General Design Tool for Combinatorial Libraries.

From the reviews:"This book contains 18 chapters divided into five sections. ... great interest to investigators designing and synthesizing chemical libraries. ... would be exceedingly useful to programmers or designers interested in developing combinatorial chemical library software utilities and, as such, will appeal to that audience. ... very useful to a broad audience interested in chemical library design ... . it is easy to read. ... a valuable resource that should be educational and serve as a good resource for those interested in Chemical Library Design." (David L. Roman, Journal of Medicinal Chemistry, Vol. 54 (12), 2011)