First steps towards semantic descriptions of electronic laboratory notebook records.
First steps towards semantic descriptions of electronic laboratory notebook records.
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DOI：
10.1186/1758-2946-5-52
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发表时间：
2013-12-20
影响因子：
8.6
通讯作者：
Day AE
中科院分区：
文献类型：
--
作者：
Coles SJ;Frey JG;Bird CL;Whitby RJ;Day AE
为了利用电子实验室笔记（eln）中保存的大量目前无法获取的化学信息，不仅需要使其可用，而且需要制定发现、访问和最终自动处理的协议。Dial-a-Molecule大挑战网络的一个目标是能够利用积累的化学知识来预测或优化反应的结果。因此，网络设立了一个工作组，由工业界和学术界的信息学家、软件开发人员和利益攸关方组成，以制定获取和处理网络记录的协议和机制。本文提出的工作构成了这个过程的第一阶段，提出了一个知识、信息和处理的分层元数据系统，其中每个系统依次解决a)发现、索引和引用b)上下文和对附加信息的访问以及c)内容访问和操作。已经派生了一组紧凑的元数据术语（称为elnItemManifest），以满足该模型的知识层。elnItemManifest已被编码为XML模式，并提供了一些用例来演示这种方法的潜力。
In order to exploit the vast body of currently inaccessible chemical information held in Electronic Laboratory Notebooks (ELNs) it is necessary not only to make it available but also to develop protocols for discovery, access and ultimately automatic processing. An aim of the Dial-a-Molecule Grand Challenge Network is to be able to draw on the body of accumulated chemical knowledge in order to predict or optimize the outcome of reactions. Accordingly the Network drew up a working group comprising informaticians, software developers and stakeholders from industry and academia to develop protocols and mechanisms to access and process ELN records. The work presented here constitutes the first stage of this process by proposing a tiered metadata system of knowledge, information and processing where each in turn addresses a) discovery, indexing and citation b) context and access to additional information and c) content access and manipulation. A compact set of metadata terms, called the elnItemManifest, has been derived and caters for the knowledge layer of this model. The elnItemManifest has been encoded as an XML schema and some use cases are presented to demonstrate the potential of this approach.
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影响因子：
5.6
作者：
Coles, Simon J.;Frey, Jeremy G.;Day, Michael
通讯作者：
Day, Michael
DOI：
10.1107/s1744309112008421
发表时间：
2012-04-01
影响因子：
0.9
作者：
Rupp, Bernhard
通讯作者：
Rupp, Bernhard
影响因子：
8.6
作者：
Murray-Rust, Peter;Townsend, Joe A.;Thomas, Jens
通讯作者：
Thomas, Jens
影响因子：
3
作者：
Chavan, Vishwas S.;Ingwersen, Peter
通讯作者：
Ingwersen, Peter