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Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance.
Wiley Interdisciplinary Reviews: Computational Molecular Science ( IF 16.8 ) Pub Date : 2013-01-08 , DOI: 10.1002/wcms.1127
Jeremy G Frey 1 , Colin L Bird 1
Affiliation  

Cheminformatics is evolving from being a field of study associated primarily with drug discovery into a discipline that embraces the distribution, management, access, and sharing of chemical data. The relationship with the related subject of bioinformatics is becoming stronger and better defined, owing to the influence of Semantic Web technologies, which enable researchers to integrate heterogeneous sources of chemical, biochemical, biological, and medical information. These developments depend on a range of factors: the principles of chemical identifiers and their role in relationships between chemical and biological entities; the importance of preserving provenance and properly curated metadata; and an understanding of the contribution that the Semantic Web can make at all stages of the research lifecycle. The movements toward open access, open source, and open collaboration all contribute to progress toward the goals of integration.

中文翻译:

化学信息学和语义网:通过链接数据和增强的来源增加价值。

化学信息学正在从主要与药物发现相关的研究领域演变为一门包含化学数据分布、管理、访问和共享的学科。由于语义 Web 技术的影响,与生物信息学相关学科的关系变得更加牢固和明确,这使研究人员能够整合化学、生化、生物和医学信息的异构来源。这些发展取决于一系列因素:化学标识符的原理及其在化学和生物实体之间的关系中的作用;保留出处和适当策划的元数据的重要性;以及对语义网在研究生命周期的所有阶段可以做出的贡献的理解。走向开放获取的运动,
更新日期:2019-11-01
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