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Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology, 275)

Jürgen Bajorath
4.9/5 (33180 ratings)
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 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.We have made it easy for you to find a PDF Ebooks without any digging. And by having access to our ebooks online or by storing it on your computer, you have convenient answers with Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology, 275). To get started finding Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology, 275), you are right to find our website which has a comprehensive collection of manuals listed.
Our library is the biggest of these that have literally hundreds of thousands of different products represented.
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PDF, EPUB & Kindle Edition
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ISBN
1588292614

Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology, 275)

Jürgen Bajorath
4.4/5 (1290744 ratings)
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 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.We have made it easy for you to find a PDF Ebooks without any digging. And by having access to our ebooks online or by storing it on your computer, you have convenient answers with Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology, 275). To get started finding Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Methods in Molecular Biology, 275), you are right to find our website which has a comprehensive collection of manuals listed.
Our library is the biggest of these that have literally hundreds of thousands of different products represented.
Pages
Format
PDF, EPUB & Kindle Edition
Publisher
Release
ISBN
1588292614
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