An Introduction to Chemoinformatics

Andrew R. Leach

ISBN 10: 1402062907 / ISBN 13: 9781402062902

Editore: Springer, 2007

This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature. Codice articolo 5506b243-f00a-4f44-a47d-f842e51cc43e

Riassunto:

This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

Recensione: This is a rather remarkable little book. Just as its title promises, it provides an introduction to a very wide variety of chemoinformatic and CADD topics. Allthough the book is written for beginning graduate students and advanced undergraduates, it could certainly provide a very helpful overview for professionals with no prior knowledge of the subject matter. --Robert S. Pearlman, University of Texas at Austin. J.Am. Chem. Soc., Vol 126, No. 4, 2004.

Dati bibliografici

Titolo: An Introduction to Chemoinformatics
Casa editrice: Springer
Data di pubblicazione: 2007
Legatura: Softcover
Condizione: Fine