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化学信息学导论。

Introduction to cheminformatics.

作者信息

Wishart David S

机构信息

University of Alberta, Edmonton, Canada.

出版信息

Curr Protoc Bioinformatics. 2007 Jun;Chapter 14:Unit 14.1. doi: 10.1002/0471250953.bi1401s18.

Abstract

Cheminformatics is a relatively new field of information technology that focuses on the collection, storage, analysis, and manipulation of chemical data. The chemical data of interest typically includes information on small molecule formulas, structures, properties, spectra, and activities (biological or industrial). Cheminformatics originally emerged as a vehicle to help the drug discovery and development process, however cheminformatics now plays an increasingly important role in many areas of biology, chemistry, and biochemistry. The intent of this unit is to give readers some introduction into the field of cheminformatics and to show how cheminformatics not only shares many similarities with the field of bioinformatics, but that it can also enhance much of what is currently done in bioinformatics.

摘要

化学信息学是信息技术中一个相对较新的领域,专注于化学数据的收集、存储、分析和处理。感兴趣的化学数据通常包括小分子分子式、结构、性质、光谱和活性(生物或工业方面)的信息。化学信息学最初作为一种辅助药物发现和开发过程的工具出现,然而现在化学信息学在生物学、化学和生物化学的许多领域发挥着越来越重要的作用。本单元的目的是让读者对化学信息学领域有一些初步了解,并展示化学信息学不仅与生物信息学领域有许多相似之处,而且还能增强目前生物信息学中所做的许多工作。

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