Limits and solutions for ontological representation of chemical reactions: reactions modelling with LARAsuite
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.
Authors
- Mark Doerr (ORCID: https://orcid.org/0000-0003-3270-6895)
- Stefan Born
Institutions
- Technische Universität Berlin (DE)
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2025-11-11
- DOI
- https://doi.org/10.5281/zenodo.18022171
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00