Handbook of molecular descriptors - Couverture rigide

Todeschini, Roberto; Consonni, Viviana

Couverture rigide

ISBN 10 : 3527299130 ISBN 13 : 9783527299133

Editeur : Wiley-VCH Verlag GmbH, 2000

Synopsis

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 became 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 handbook is the most comprehensive collection of molecular descriptors and presents a detailed review from the beginning of this research field to nowadays. This practically oriented reference book gives a thorough overview on the different molecular descriptors representations and the corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs. Numerous figures and tables improve the comprehension of the definitions. Cross references throughout the book, 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. It will be an invaluable guide for all those dealing with bioactive molecules as well as for those aimed to predict physico-chemical or environmental properties by models based on molecular descriptors. This book is written in such way to be also a powerful didactic tool for researchers.

A propos du livre

Présentation de l'éditeur

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.

Revue de presse

"...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

Détails de l'édition

• Éditeur: Wiley-VCH Verlag GmbH
• Date d'édition: 2000
• Langue: anglais
• ISBN 10: 3527299130
• ISBN 13: 9783527299133
• Reliure: Relié
• Nombre de pages: 688
• Coordonnées du fabricant: non disponible
• Personne responsable: non disponible