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Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

机译:化学信息学和语义网:通过链接数据和增强的出处来增加价值

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摘要

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.
机译:化学信息学已经从主要与药物发现相关的研究领域演变为涵盖化学数据的分发,管理,访问和共享的学科。由于语义网技术的影响,与生物信息学相关主题的关系变得越来越牢固,关系更加清晰,这使研究人员能够集成化学,生物化学,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;保存出处和适当地整理元数据的重要性;并了解语义网在研究生命周期的各个阶段可以做出的贡献。向开放访问,开放源代码和开放协作的运动都为实现集成目标做出了贡献。

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