ELNdataBridge: facilitating data exchange and collaboration by linking Electronic Lab Notebooks via API

IF 5.7 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Martin Starman, Fabian Kirchner, Martin Held, Catriona Eschke, Sayed-Ahmad Sahim, Regine Willumeit-Römer, Nicole Jung, Stefan Bräse
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引用次数: 0

Abstract

Electronic Lab Notebooks (ELNs) have become indispensable tools for modern research laboratories, facilitating data management, collaboration, and documentation of scientific experiments. However, the proliferation of diverse ELN platforms poses challenges for researchers who need to seamlessly exchange data between different systems. In this paper, we present ELNdataBridge, a novel server-based solution designed to address this challenge by providing a flexible adapter for interfacing and synchronising data between disparate ELN platforms. ELNdataBridge leverages Python APIs to interact with the underlying data structures of various ELN systems, enabling smooth transfer of information between them. The system offers a user-friendly interface that allows researchers to map and configure the transfer of single values and entry types between different ELNs, thereby facilitating interoperability and data exchange. The suitability and efficiency of the developed software was shown by a first demonstrator, enabling the exchange of data from Chemotion ELN and Herbie, and therewith the connection of information with a focus on chemistry and materials sciences.

Scientific contribution: To the best of our knowledge, a method enabling the interoperable exchange of information between different ELNs, as described here, has not yet been reported. Given the increasing number of scientists using ELNs and their reliance on discipline-specific platforms, this work proposes a solution to overcome the current limitations related to ELN interoperability.

ELNdataBridge:通过API链接电子实验室笔记本,促进数据交换和协作
电子实验室笔记本(eln)已成为现代研究实验室不可或缺的工具,促进了数据管理、协作和科学实验的记录。然而,各种ELN平台的激增给需要在不同系统之间无缝交换数据的研究人员带来了挑战。在本文中,我们提出了ELNdataBridge,这是一种新颖的基于服务器的解决方案,旨在通过提供灵活的适配器来在不同的ELN平台之间进行接口和同步数据,从而解决这一挑战。ELNdataBridge利用Python api与各种ELN系统的底层数据结构进行交互,从而实现信息在它们之间的平滑传输。该系统提供了一个用户友好的界面,允许研究人员在不同的eln之间映射和配置单个值和输入类型的传输,从而促进互操作性和数据交换。开发的软件的适用性和效率通过第一个演示器得到了证明,可以交换来自Chemotion ELN和Herbie的数据,从而将信息与化学和材料科学的重点联系起来。科学贡献:据我们所知,一种在不同eln之间实现可互操作的信息交换的方法,如本文所述,尚未被报道。鉴于越来越多的科学家使用ELN以及他们对特定学科平台的依赖,本工作提出了一种解决方案,以克服当前与ELN互操作性相关的限制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Cheminformatics
Journal of Cheminformatics CHEMISTRY, MULTIDISCIPLINARY-COMPUTER SCIENCE, INFORMATION SYSTEMS
CiteScore
14.10
自引率
7.00%
发文量
82
审稿时长
3 months
期刊介绍: Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling. Coverage includes, but is not limited to: chemical information systems, software and databases, and molecular modelling, chemical structure representations and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases, computer and molecular graphics, computer-aided molecular design, expert systems, QSAR, and data mining techniques.
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