Publisher's Synopsis
New computational tools are allowing the generation and collection of chemical data on an unprecedented scale. They bring with them the power to examine patterns in structure and function of molecules, and to exploit this new knowledge to customise molecules, with far reaching implications for drug design and drug optimisation. Chemical Informatics is a timely and much-needed textbook which provides an accessible and wide-ranging insight into a subject which is rapidly becoming a fundamental part of chemistry today. In the opening chapters, the student is guided through the computational tools on which chemical informatics is based, explaining the nomenclature which is used, how databases can be searched, and what the information retrieved can tell us in terms of chemical properties: molecular structure and function. The book then goes on to describe the many ways in which chemical informatics is being applied to further our understanding of various areas of chemistry, including chemical structure, biological chemistry, thermodynamics, and kinetics. Drawing upon currently available chemical databases, and encouraging students to explore the subject in a hands-on manner, Chemical Informatics supports and encourages the understanding of the many powerful computational tools of chemical informatics in a way that is both relevant to and stimulating for the reader. A vital resource for all students wishing to gain an insight into one of the most important new tools available for chemical research today. Online Resource Centre - Figures from the book available to download, to facilitate lecture preparation - Online glossary of key terms, to help students master the terminology used - Links to the key chemical informatics databases, giving students ready access to these additional resources
