The semantic smart laboratory:: a system for supporting the chemical eScientist
The semantic smart laboratory:: a system for supporting the chemical eScientist
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DOI：
10.1039/b410075a
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发表时间：
2004-01-01
影响因子：
3.2
通讯作者：
Zaluska, E
中科院分区：
文献类型：
--
作者：
Hughes, G;Mills, H;Zaluska, E
eScience的一个目标是实现实验和结果的端到端发布。在Combechem项目中，我们开发了一个创新的以人为本的系统，它捕捉了化学实验从计划到执行的过程。该系统包括一个已在合成有机化学实验室成功试用的电子实验室手册替代品，以及一个灵活的后端存储系统。与用户密切合作，我们发现用户界面需要轻触和高度灵活性。在本文中，我们专注于人类规模的实验元数据的表示和存储，引入本体来描述一个实验的记录，并从我们的实验书软件的数据存储系统。正如接口需要灵活以科普化学家希望记录的任何内容一样，后端解决方案也需要同样灵活以存储可能创建的任何元数据。该存储系统基于语义Web技术，如RDF和Web服务。与使用严格的关系数据库相比，它为可以存储的元数据类型提供了更高程度的灵活性。
One goal of eScience is to enable the end-to-end publication of experiments and results. In the Combechem project we have developed an innovative human-centred system which captures the process of a chemistry experiment from plan to execution. The system comprises an electronic lab book replacement, which has been successfully trialled in a synthetic organic chemistry laboratory, and a flexible back-end storage system. Working closely with the users, we found that a light touch and a high degree of flexibility was required in the user interface. In this paper, we concentrate on the representation and storage of human-scale experiment metadata, introducing an ontology to describe the record of an experiment, and a storage system for the data from our lab book software. Just as the interfaces need to be flexible to cope with whatever a chemist wishes to record, so the back end solutions need to be similarly flexible to store any metadata that may be created. The storage system is based on Semantic Web technologies, such as RDF, and Web Services. It gives a much higher degree of flexibility to the type of metadata it can store, compared to the use of rigid relational databases.