Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology)

Description

Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology)

Publisher: Humana Press
Number Of Pages: 544
Publication Date: 2004-05-12
Sales Rank: 675122
ISBN / ASIN: 1588292614
EAN: 9781588292612
Binding: Hardcover
Manufacturer: Humana Press
Studio: Humana Press

Book Description:

Well-recognized pioneers and investigators from diverse professional environments survey the key concepts in the field, describe cutting-edge methods, and provide exemplary pharmaceutical applications. The authors explain the theory behind the crucial concepts of molecular similarity and diversity, describe the challenging efforts to use chemoinformatics approaches to virtual and high-throughput screening, and illuminate the latest developments in multidimensional QSAR analysis. Other topics of interest include the use of partitioning algorithms and classification methods for analyzing large compound databases, screening sets, and virtual screening for active molecules; different approaches to read.freeduan.com target class-specific library design; and the generation of a novel class of molecular surface properties descriptors that can be readily calculated from 2D representations of molecular structures. Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery illuminates the conceptual and methodological diversity of this rapidly evolving field and offers instructive examples of cutting-edge applications in the drug discovery process.

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