This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. <p> With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools—from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. <p> An invaluable resource for drug developers and medicinal chemists in academia and industry.<br>
"...a well-written, up-to-date, and practical book for medicinal chemists and computational chemists working in drug discovery."
Journal of Medicinal Chemistry
"The volume is a valuable source of information for readers engaged in all areas of pharmaceutical research and development and medicinal chemistry."
Angewandte Chemie International Edition
"... a unique and richly erudite text premised on a sub-layer of the scientific process ..."
"...truly a delightful beginning and ending to a thoroughly superb reading that is worth the price of admission."
Journal of the American Chemical Society