Now Published in the New Developments in NMR Series
Contemporary Computer-assisted Approaches to Molecular Structure Elucidation
Written by Mikhail Elyashberg, Antony Williams and Kirill Blinov
Computer-assisted structure elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation.
This exemplary new book describes the principles on which these expert systems are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation.
The authors overall goal in writing this book is to produce the ‘must read’ definitive text that will represent the results of decades of work to develop CASE software systems. These are now powerful software tools commonly outperforming and correcting human interpretations of data. The book will also provide an historical perspective from the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.
http://www.rsc.org/shop/books/2011/9781849734325.asp
