Voc4cat: Vocabulary guidelines for NFDI4CatThe Voc4Cat guidelines have been developed as a blueprint towards suggesting, adding, and editing content to the vocabularies developed throughout NFDI4Cat. The aim of Voc4Cat is to provide guidelines to guarantee consistency and coherence on selection of concepts and terms between all catalysis-related vocabularies in NFDI4Cat. Voc4Cat, initially inspired by the AGROVOC editorial guidelines of FAO, evolved over the course of Task Area 1 (TA1): Ontology Development and Metadata Standards of NFDI4Cat
Ontologies4Chem: the landscape of ontologies in chemistryFor a long time, databases such as CAS, Reaxys, PubChem or ChemSpider mostly rely on unique numerical identifiers or chemical structure identifiers like InChI, SMILES or others to link data across heterogeneous data sources. The retrospective processing of information and fragmented data from text publications to maintain these databases is a cumbersome process. Ontologies are a holistic approach to semantically describe data, information and knowledge of a domain. They provide terms, relations and logic to semantically annotate and link data building knowledge graphs. The application of standard taxonomies and vocabularies from the very beginning of data generation and along research workflows in electronic lab notebooks (ELNs), software tools, and their final publication in data repositories create FAIR data straightforwardly. Thus a proper semantic description of an investigation and the why, how, where, when, and by whom data was produced in conjunction with the description and representation of research data is a natural outcome in contrast to the retrospective processing of research publications as we know it. In this work we provide an overview of ontologies in chemistry suitable to represent concepts of research and research data. These ontologies are evaluated against several criteria derived from the FAIR data principles and their possible application in the digitisation of research data management workflows.
NFDI4C* Workshop on synergy & cooperationA short presentationthat was held in the breakout session "ontologies & metadata" of the NFDI4Chem & NFDI4Cat joint workshop.
Flyer Ontologies4CatFlyer introducing concepts and importance for ontologies in catalysis research as seen at the 56. Jahrestreffen Deutscher Katalytiker in Weimar 2023.