Chemoinformatics in Drug Discovery
Copyright © 2005 Wiley-VCH Verlag GmbH & Co. KGaA
Editor(s): Tudor I. Oprea
Published Online: 19 MAY 2005
Print ISBN: 9783527307531
Online ISBN: 9783527603749
Book Series: Methods and Principles in Medicinal Chemistry
Series Editor(s): Raimund Mannhold, Hugo Kubinyi, Gerd Folkers
About this Book
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.
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.
An invaluable resource for drug developers and medicinal chemists in academia and industry.