Enhancing Chiral Catalyst Search with Ontology Terms

Buchler GmbH’s Collaboration with NFDI4Chem

In the dynamic world of chemical research, accurate data representation is critical. Buchler GmbH, a company with a history dating back to 1858, has recently taken a significant step towards improving its Chiral Catalyst Search Tool by integrating ontology terms through the NFDI4Chem Terminology Service. 

Buchler GmbH, founded by Hermann Buchler in Braunschweig, Germany, began as a quinine chemical factory. Over the years, the company expanded its product portfolio to include various alkaloids and made groundbreaking advances such as developing the world’s first industrial radium extraction process. Today, Buchler GmbH remains Europe’s only manufacturer of Cinchona alkaloids, continuing its legacy of innovation and excellence in chemical manufacturing.

The Importance of Ontologies in Chemical Data

Ontologies provide a structured framework for classifying and retrieving information across different databases and research projects. In chemistry, they define chemical entities, reactions, properties and processes in a standardised way. This standardisation ensures data consistency, facilitates collaboration and improves the interoperability of datasets, making it easier to share and use chemical information.

In the context of AI and machine learning, ontologies are crucial to enabling machines to accurately understand and process chemical data. Ontologies provide the structure and standardisation necessary for AI algorithms to perform data analysis, pattern recognition and predictive modelling with greater accuracy. By using standardised terms, AI systems can more effectively integrate and analyse data from different sources, leading to more robust and reliable insights.

The Role of the NFDI4Chem Terminology Service

The NFDI4Chem Terminology Service, part of the German National Research Data Infrastructure for Chemistry, provides standardised terminologies and ontologies for the annotation of chemical data. It supports the chemical research community by providing a comprehensive repository of chemical terms and tools for automated data annotation, ensuring that data are FAIR (Findable, Accessible, Interoperable, and Reusable).

Buchler GmbH’s Integration of RXNO Ontologies using the NFDI4Chem Ontology Service

Using the NFDI4Chem Terminology Service, Buchler GmbH has applied standardised ontology terms from the RXNO named reaction ontology to its database of chemical reactions using chiral catalysts. Applying these ontology terms ensures consistent terminology and is a key step in applying the FAIR principles to the database. Using NFDI4Chem’s tools, Buchler GmbH is improving its internal data management and contributing to the wider goal of standardising chemical data across industry.