Lin Chia-Lin, Huang Pei-Chi, Wöll Christof, Théato Patrick, Kübel Christian, Pilz Lena, Jung Nicole, Bräse Stefan
Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131, Karlsruhe, Germany.
Institute of Functional Interfaces (IFG), Karlsruhe Institute of Technolgy, Kaiserstraße 12, 76131, Karlsruhe, Germany.
J Cheminform. 2025 May 14;17(1):75. doi: 10.1186/s13321-025-01021-4.
This work presents the LabIMotion extension for the Chemotion Electronic Lab Notebook (ELN), expanding its capabilities from organic chemistry to support interdisciplinary research and enabling the description of workflows. LabIMotion enhances documentation by introducing customizable components structured across three levels-Elements, Segments, and Datasets-enabling flexible, hierarchical organization and reuse of data. Through the integration of links to ontologies, the extension ensures precise, machine-readable data, promoting interoperability and adherence to FAIR principles. The extension features an intuitive, user-friendly interface that allows researchers to easily create new ELN content by leveraging a set of customizable, generic methods. Scientists can set up new data fields, can link data fields, or establish workflows, and the extension translates those needs directly into usable functionality at their command. Through this high degree of flexibility, a wide range of specific research needs can be met. The LabIMotion Hub plays a crucial role in distributing and updating components, fostering standardization, and enabling collaborative development within scientific communities. These advancements significantly improve the ELN's adaptability, usability, and relevance across various research disciplines.Scientific contributionThis work demonstrates how research data management systems can be designed to support discipline-specific requirements in chemistry research while offering a high flexibility and interoperability to deal with interdisciplinary work. The developed software, LabIMotion, offers a versatile approach for integrating novel research aspects into a research data environment, fostering bottom-up processes for defining schemas and standardizing scientific workflows. In particular, the software's support for community-driven extensions, combined with a clear definition of content and its assignment to ontology terms, provides unique advantages for creating adaptable tools suited to the complexities of the scientific environment.
这项工作展示了用于Chemotion电子实验室笔记本（ELN）的LabIMotion扩展，将其功能从有机化学扩展到支持跨学科研究并实现工作流程的描述。LabIMotion通过引入跨三个层次（元素、片段和数据集）构建的可定制组件来增强文档记录，实现数据的灵活分层组织和重用。通过集成到本体的链接，该扩展确保了精确的、机器可读的数据，促进了互操作性并符合FAIR原则。该扩展具有直观、用户友好的界面，使研究人员能够通过利用一组可定制的通用方法轻松创建新的ELN内容。科学家可以设置新的数据字段、链接数据字段或建立工作流程，该扩展会根据他们的指令将这些需求直接转化为可用功能。通过这种高度的灵活性，可以满足广泛的特定研究需求。LabIMotion中心在组件的分发和更新、促进标准化以及实现科学界内的协作开发方面发挥着关键作用。这些进步显著提高了ELN在各个研究学科中的适应性、可用性和相关性。
科学贡献
这项工作展示了如何设计研究数据管理系统以支持化学研究中的特定学科要求，同时提供高度的灵活性和互操作性来处理跨学科工作。所开发的软件LabIMotion提供了一种通用方法，用于将新颖的研究方面集成到研究数据环境中，促进自下而上定义模式和标准化科学工作流程的过程。特别是，该软件对社区驱动扩展的支持，结合对内容的明确定义及其与本体术语的关联，为创建适合科学环境复杂性的适应性工具提供了独特优势。
