Chemical Library Design

Part I: General Topics 1. Historical Overview of Chemical Library Design Roland E. Dolle 2. Chemoinformatics and Library Design Joe Zhongxiang Zhou 3. Molecular Library Design Using Multi-Objective Optimization Methods Christos A Nicolaou and Christos C. Kannas 4. A Scalable Approach to Combinatorial Library Design Puneet Sharma, Srinivasa Salapaka, and Carolyn Beck 5. Application of Free-Wilson Selectivity Analysis for Combinatorial Library Design Simone Sciabola, Robert V. Stanton, Theresa L. Johnson, and Hualin Xi 6. Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design Jerry O. Ebalunode, Weifan Zheng, and Alexander Tropsha 7. Combinatorial Library Design from Reagent Pharmacophore Fingerprints Hongming Chen, Ola Engkvist, and Niklas Blomberg Part II: Structure-Based Library Design 8. Docking Methods for Structure-Based Library Design Claudio N. Cavasotto and Sharangdhar S. Phatak 9. Structure-Based Library Design in Efficient Discovery of Novel Inhibitors Shunqi Yan and Robert Selliah 10. Structure-Based and Property-Compliant Library Design of 11¿-HSD1 Adamantyl Amide Inhibitors Genevieve D. Paderes, Klaus Dress, Buwen Huang, Jeff Elleraas, Paul A. Rejto, and Tom Pauly Part III: Fragment-Based Library Design 11. Design of Screening Collections for Successful Fragment-Based Lead Discovery James Na and Qiyue Hu 12. Fragment-Based Drug Design Eric Feyfant, Jason Cross, Kevin Paris, and Désirée H.H. Tsao 13. LEAP into the Pfizer Global Virtual Library (PGVL) Space: Creation of Readily Synthesizable Design Ideas Automatically Qiyue Hu, Zhengwei Peng, Jaroslav Kostrowicki, and Atsuo Kuki Part IV: Library Design for Kinase Family 14. The Design, Annotation, and Application of a Kinase-Targeted-Library Hualin Xi and Elizabeth A. Lunney Part V: Library Design Tools 15. PGVL Hub: An Integrated Desktop Tool for Medicinal Chemists to Streamline Design and Synthesis of Chemical Libraries and Singleton Compounds Zhengwei Peng,

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)

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)