Now Published in the RSC Drug Discovery Series
Drug Design Strategies: Quantitative Approaches
Edited by David J. Livingstone and Andrew M. Davis
With the rapidly escalating costs of drug discovery and development together with spiralling delivery, quantitative approaches hold the promise of shifting the balance of success, to enable drug discovery to maintain its economic viability. This exemplary new book will provide a useful summary of the current state-of-the-art in quantitative approaches to drug design and future opportunities. It will provide an inspiration to drug design practitioners to apply careful design, to make best use of the quantitative methods that are currently available, while continuing to improve them.
Key chapters include: the evolution of quantitative drug design; drug-like physicochemical properties; the development of QSAR and molecular modelling programs; the contribution of structure-based drug design; representing chemical structures in databases for drug design; modelling chemical structure-Log P; characterising chemical structure using physicochemical descriptors; assessing quantitative model quality and performance; the application of modelling techniques; the use of expert systems; ligand-based modelling of toxicity; ADMET predictions; the design of chemical libraries; the impact of genomics, systems biology and bioinformatics; scoring drug-receptor interactions and modelling chemicals in the environment.
The book will be essential reading for medicinal and computational chemists, and all those involved in drug discovery and development in the pharmaceutical industries.
http://www.rsc.org/shop/books/2011/9781849731669.asp
