Ontological representation of experiments in electrochemistry and synthetic chemistry
Presentation given at the Ontologies4Chem Workshop 2025.Abstract: This talk presented a high-level abstraction model designed for the ontological representation of chemical experiments. Using two distinct and complex use cases, high-throughput electrochemical testing and automated organic synthesis, the presenters demonstrated how this model can capture diverse experimental scenarios. The primary goal is to engage the audience in a discussion to identify and address common challenges, as well as to pinpoint any gaps or weaknesses in the model.
Authors
- Alexei A. Lapkin (ORCID: https://orcid.org/0000-0001-7621-0889)
- Daniel Willimetz (ORCID: https://orcid.org/0000-0001-9923-9676)
- Jürgen Schumacher
- Zhang Shuyuan
Institutions
- University of Cambridge (GB)
- Fraunhofer Institute for Algorithms and Scientific Computing (DE)
- Fraunhofer Institute for Solar Energy Systems (DE)
- ZHAW Zurich University of Applied Sciences (CH)
Publication Details
- Journal
- Zürcher Hochschule für Angewandte Wissenschaften digital collection (Zurich University of Applied Sciences)
- Published
- 2025-11-12
- DOI
- https://doi.org/10.5281/zenodo.18016880
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00