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Titlebook: Chemical Library Design; Joe Zhongxiang Zhou Book 2011 Springer Science+Business Media, LLC 2011 Chemoinformatics.Combinatorial libraries.

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发表于 2025-3-21 18:11:22 | 显示全部楼层 |阅读模式
书目名称Chemical Library Design
编辑Joe Zhongxiang Zhou
视频videohttp://file.papertrans.cn/225/224361/224361.mp4
概述Presents protocols with a design-based focus, from introductory overviews to detailed applications.Provides contributions from expert practitioners featuring their tips for successful implementation o
丛书名称Methods in Molecular Biology
图书封面Titlebook: Chemical Library Design;  Joe Zhongxiang Zhou Book 2011 Springer Science+Business Media, LLC 2011 Chemoinformatics.Combinatorial libraries.
描述Chemical library technologies have brought about dramatic changes in the drug discovery process, and, though still evolving, they have become an integral part of ongoing drug discovery research.In Chemical Library Design, experts in the field provide methods and detailed protocols delving into this key process of selecting useful, biologically relevant compounds from large pools of synthesizable candidates. This compendium includes chapters on historical overviews, state-of-the-art methodologies, including structure-based and fragment-based library design,practical software tools, and successful and important applications of chemical library design.As a volume in the popular Methods in Molecular Biology™ series, the thorough contributions provide the kind of meticulous description and implementation advice that is crucial for getting optimal results.Authoritative and cutting-edge, Chemical Library Design is an ideal reference for all scientists seeking the technology needed to aid in the search for new and vital drugs.
出版日期Book 2011
关键词Chemoinformatics; Combinatorial libraries; Drug discovery process; Fragment-based library design; High t
版次1
doihttps://doi.org/10.1007/978-1-60761-931-4
isbn_softcover978-1-4939-6154-2
isbn_ebook978-1-60761-931-4Series ISSN 1064-3745 Series E-ISSN 1940-6029
issn_series 1064-3745
copyrightSpringer Science+Business Media, LLC 2011
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发表于 2025-3-21 20:45:03 | 显示全部楼层
Chemoinformatics and Library Designerve as an invitation to readers for more in-depth exploration of the field. The topics covered in this chapter are chemical representation, chemical data and data mining, molecular descriptors, chemical space and dimension reduction, quantitative structure–activity relationship, similarity, diversi
发表于 2025-3-22 02:02:15 | 显示全部楼层
Molecular Library Design Using Multi-Objective Optimization Methods for the purposes of drug discovery. Contrary to initial expectations, the increase in screening library size, typically combined with an emphasis on compound structural diversity, did not result in a comparable increase in the number of promising hits found. In an effort to improve the likelihood o
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Application of Free–Wilson Selectivity Analysis for Combinatorial Library Designutational approach for generating virtual libraries. The Free–Wilson methodology was applied to extract rules from two data sets containing compounds which were screened against either kinase or PDE gene family panels. The rules were used to make predictions for all compounds enumerated from their r
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Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Designld be achieved through rational selection of reagents used in combinatorial library synthesis. However, with a rapid advent of parallel synthesis methods and availability of millions of compounds synthesized by many vendors, it may be more efficient to design targeted libraries by means of virtual s
发表于 2025-3-22 18:44:16 | 显示全部楼层
Combinatorial Library Design from Reagent Pharmacophore Fingerprintsased emphasis on targeted lead generation libraries and focussed screening libraries in the pharmaceutical industry has driven a surge in computational methods to explore molecular frameworks to establish new chemical equity. In this chapter we describe a complementary technique in the library desig
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