Thank you for visiting us. We are currently updating our shopping cart and regret to advise that it will be unavailable until September 1, 2014. We apologise for any inconvenience and look forward to serving you again.

Wiley
Wiley.com
Print this page Share
E-book

Handbook of Molecular Descriptors

Roberto Todeschini, Viviana Consonni, Raimund Mannhold (Series Editor), Hugo Kubinyi (Series Editor), Hendrik Timmerman (Series Editor)
ISBN: 978-3-527-61311-3
688 pages
July 2008
Handbook of Molecular Descriptors (3527613110) cover image
Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures.

This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.
See More
Introduction
Users Guide
Notations
Acronyms
List of molecular descriptors
Appendix 1 Counting and topological descriptors
Appendix 2 Calculation of descriptors
Tables of molecular descriptor values
References
See More
"...the best of its kind. For scientists active in chemical graph theory, as well as for their students, it simply will be 'The Handbook'." match
See More

Related Titles

Back to Top