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Titlebook: Chemoinformatics; Concepts, Methods, a Jürgen Bajorath Book 2004 Humana Press 2004

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发表于 2025-3-21 19:34:45 | 显示全部楼层 |阅读模式
书目名称Chemoinformatics
副标题Concepts, Methods, a
编辑Jürgen Bajorath
视频videohttp://file.papertrans.cn/225/224902/224902.mp4
概述Includes supplementary material:
丛书名称Methods in Molecular Biology
图书封面Titlebook: Chemoinformatics; Concepts, Methods, a Jürgen Bajorath Book 2004 Humana Press 2004
描述In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of “all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. ” In Brown’s definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term “chemical informatics” that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course “chemometrics,” which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account th
出版日期Book 2004
版次1
doihttps://doi.org/10.1385/1592598021
isbn_softcover978-1-61737-459-3
isbn_ebook978-1-59259-802-1Series ISSN 1064-3745 Series E-ISSN 1940-6029
issn_series 1064-3745
copyrightHumana Press 2004
The information of publication is updating

书目名称Chemoinformatics影响因子(影响力)




书目名称Chemoinformatics影响因子(影响力)学科排名




书目名称Chemoinformatics网络公开度




书目名称Chemoinformatics网络公开度学科排名




书目名称Chemoinformatics被引频次




书目名称Chemoinformatics被引频次学科排名




书目名称Chemoinformatics年度引用




书目名称Chemoinformatics年度引用学科排名




书目名称Chemoinformatics读者反馈




书目名称Chemoinformatics读者反馈学科排名




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1064-3745 is area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account th978-1-61737-459-3978-1-59259-802-1Series ISSN 1064-3745 Series E-ISSN 1940-6029
发表于 2025-3-22 07:22:10 | 显示全部楼层
Book 2004ant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account th
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https://doi.org/10.1007/978-3-319-78649-0ental assumption underlying medicinal chemistry. Dissimilarity, the complement of similarity, also plays a major role in a growing number of applications of molecular diversity in combinatorial chemistry, high-throughput screening, and related fields. How molecular information is represented, called
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Soils, Palaeosols, Calcrete and Karst,t user or by the “bench scientist.” This decision can impact not only the style of tools that are rolled out, but is also a factor in terms of how these tools are delivered to the end users. The system that we outline here was designed for use by the non-expert user. As such, the tools that we discu
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Sunando Bandyopadhyay,Nabendu Sekhar Karroughput-screening data. The chapter will briefly describe current high-throughput-screening practices and will stress how the major constraint on the application of chemoinformatics is often the quality of high-throughput-screening data. Discussion of the NCI dataset and how it differs from most hi
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