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ELN数据桥接:通过应用程序编程接口连接电子实验室笔记本,促进数据交换与协作。

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

作者信息

Starman Martin, Kirchner Fabian, Held Martin, Eschke Catriona, Sahim Sayed-Ahmad, Willumeit-Römer Regine, Jung Nicole, Bräse Stefan

机构信息

Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131, Karlsruhe, Germany.

Karlsruhe Nano Micro Facility (KNMFi), Kaiserstraße 12, 76131, Karlsruhe, Germany.

出版信息

J Cheminform. 2025 May 26;17(1):86. doi: 10.1186/s13321-025-01024-1.

DOI:10.1186/s13321-025-01024-1
PMID:40420243
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12107819/
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.

摘要

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,有助于科学实验的数据管理、协作和文档记录。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,我们介绍了ELNdataBridge,这是一种基于服务器的新型解决方案,旨在通过提供一个灵活的适配器来解决这一挑战,该适配器用于在不同的ELN平台之间进行数据接口连接和同步。ELNdataBridge利用Python应用程序编程接口(API)与各种ELN系统的底层数据结构进行交互,从而实现它们之间信息的顺畅传输。该系统提供了一个用户友好的界面,使研究人员能够映射和配置不同ELN之间单个值和条目类型的传输,从而促进互操作性和数据交换。第一个演示器展示了所开发软件的适用性和效率,实现了Chemotion ELN和Herbie之间的数据交换,进而实现了以化学和材料科学为重点的信息连接。科学贡献:据我们所知,尚未有文献报道过如本文所述的能在不同ELN之间进行可互操作信息交换的方法。鉴于使用ELN的科学家数量不断增加以及他们对特定学科平台的依赖,这项工作提出了一种解决方案,以克服当前与ELN互操作性相关的局限性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/c14e00304c1d/13321_2025_1024_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/3b7c4781fab7/13321_2025_1024_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/e2b35749ccfe/13321_2025_1024_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/c11e8f73a3db/13321_2025_1024_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/8a989980ae79/13321_2025_1024_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/d07014505214/13321_2025_1024_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/5a37b148c382/13321_2025_1024_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/c14e00304c1d/13321_2025_1024_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/3b7c4781fab7/13321_2025_1024_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/e2b35749ccfe/13321_2025_1024_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/c11e8f73a3db/13321_2025_1024_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/8a989980ae79/13321_2025_1024_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/d07014505214/13321_2025_1024_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/5a37b148c382/13321_2025_1024_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f5e/12107819/c14e00304c1d/13321_2025_1024_Fig7_HTML.jpg

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本文引用的文献

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Chemotion-ELN part 2: adaption of an embedded Ketcher editor to advanced research applications.Chemotion-ELN 第 2 部分:将嵌入式 Ketcher 编辑器应用于高级研究应用
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Chemotion ELN: an Open Source electronic lab notebook for chemists in academia.Chemotion电子实验室笔记本:一款面向学术界化学家的开源电子实验室笔记本。
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