What question did this study set out to answer?

The aim is to discuss how chemical ontologies can improve the organization and publication of reaction data.

January 24, 2026Open Access

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

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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Authors

Mark Doerr

Stefan Born

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Institutions

Technische Universität Berlin

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

Key Points

Abstract

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Connected Papers

Discussion

Authors

Actions

Institutions

References and Citations

Citation Network

Connected Papers

Discussion

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