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.

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Yes, you can access Handbook of Molecular Descriptors by Roberto Todeschini, Viviana Consonni, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman in PDF and/or ePUB format, as well as other popular books in Ciencias físicas & Química industrial y técnica. We have over one million books available in our catalogue for you to explore.

Information

Publisher

Wiley-VCH

Year

2008

ISBN

9783527613113

Edition

Topic

Ciencias físicas

Subtopic

Química industrial y técnica

Handbook of Molecular Descriptors