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January 24, 20260 citationsOpen Access

Limits and solutions for ontological representation of chemical reactions: reactions modelling with LARAsuite

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MDMark DoerrSBStefan Born

Key Points

  • The aim is to discuss how chemical ontologies can improve the organization and publication of reaction data.
  • Presentation of LARAsuite applications and tools
  • Demonstration of using chemical ontologies for data annotation
  • Focus on preparing metadata for FAIR research practices
  • Identification of key benefits from using ontologies in chemical data management
  • Opportunities for automating laboratory processes
  • Enhanced accessibility and publication of reaction data as FAIR data

Abstract

Presentation given at the Ontologies4Chem Workshop 2025.Abstract: This talk presents the LARAsuite, a freely and openly available collection of applications, libraries, databases and tools to plan, manage, create, monitor and evaluate (automated) processes in the laboratory. The focus of this talk will be on how chemical ontologies can be used to annotate reaction data to produce ontology-grounded metadata necessary for publishing reaction data as FAIR research data.

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Cite This Study

Doerr et al. (2025) studied this question.

synapsesocial.com/papers/69746149bb9d90c67120b341https://doi.org/10.5281/zenodo.18022170
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