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PMID: 25679543 已发表 · ppublish 英语

ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources.

Journal of chemical information and modeling ·第 55 卷 ·第 3 期 ·2016-05-10

Day Aileen E, Coles Simon J, Bird Colin L, Frey Jeremy G, Whitby Richard J, Tkachenko Valery E, Williams Antony J

摘要

In designing an Electronic Lab Notebook (ELN), there is a balance to be struck between keeping it as general and multidisciplinary as possible for simplicity of use and maintenance and introducing more domain-specific functionality to increase its appeal to target research areas. Here, we describe the results of a collaboration between the Royal Society of Chemistry (RSC) and the University of Southampton, guided by the aims of the Dial-a-Molecule Grand Challenge, intended to achieve the best of both worlds and augment a discipline-agnostic ELN, LabTrove, with chemistry-specific functionality and using data provided by the ChemSpider platform. This has been done using plug-in technology to ensure maximum transferability with minimal effort of the chemistry functionality to other ELNs and equally other subject-specific functionality to LabTrove. The resulting product, ChemTrove, has undergone a usability trial by selected academics, and the resulting feedback will guide the future development of the underlying ELN technology.

文献信息
期刊
Journal of chemical information and modeling
期刊简称
J Chem Inf Model
发表日期
2016-05-10
收录日期
2015-03-23
更新日期
2015-03-23
语言
英语
国家/地区
United States
NLM ID
101230060
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