Agenda

Cheminformatics meets the Linked Data and SKOS

Abstract: Cheminformatics is evolving from being an area of study associated mainly with drug discovery into a discipline that holds the access, management, store, and sharing of chemical data. In this field, there is a lack of truly interoperable databases that would allow for information exchange between databases. We have decided to address this matter, therefore we propose a new approach to data storage and retrieval, based on the Simple Knowledge Organization System (SKOS) model that provides a way to organize and access knowledge. In this presentation, we present Chemical Vocabulary for Molecular Entities (CVME), which is a metaformat for describing molecules, and supports any existing chemical formats. CVME supports semantic interoperability, a feature that is lacking in other formats. Moreover, we introduce ChemSKOS database that supports our metaformat, and meets Linked Data and FAIR data principles.

Bio: Dr Dominik Tomaszuk is a researcher at the University of Bialystok, Faculty of Mathematics and Informatics (Institute of Informatics), Poland. Dominik holds an M.Sc. (2008) in Computer Science, from the Bialystok University of Technology, Poland. He also holds a Ph.D. (2014) in Computer Science from the Warsaw University of Technology, Poland. His current research focuses on Semantic Web, RDF, Property Graphs, NoSQL databases and cheminformatics.