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.