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.
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.