Wishart David S
Departments of Computing Science and Biological Sciences, University of Alberta, Edmonton, Alberta, Canada.
Curr Protoc Bioinformatics. 2016 Mar 24;53:14.1.1-14.1.21. doi: 10.1002/0471250953.bi1401s53.
Cheminformatics is a 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 also enhances much of what is currently done in bioinformatics, molecular biology, and biochemistry.
化学信息学是信息技术的一个领域，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，然而现在它在生物学、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，还提升了目前生物信息学、分子生物学和生物化学中所做的许多工作。
