Abstract Knowledge Graphs (KGs) have made a qualitative leap and effected a real
revolution in knowledge representation. This is leveraged by the underlying structure of the …

Efficient access to chemical information contained in scientific literature, patents, technical
reports, or the web is a pressing need shared by researchers and patent attorneys from …

Unlike signalling pathways, metabolic networks are subject to strict stoichiometric
constraints. Metabolomics amplifies changes in the proteome, and represents more closely …

Conspectus Passing knowledge from human to human is a natural process that has
continued since the beginning of humankind. Over the past few decades, we have …

An ontology for capturing both data and the semantics of chemical kinetic reaction
mechanisms has been developed. Such mechanisms can be applied to simulate and …

Zeolites are complex and porous crystalline inorganic materials that serve as hosts for a
variety of molecular, ionic and cluster species. Formal, machine-actionable representation of …

Cheminformatics is the application of informatics techniques to solve chemical problems in
silico. There are many areas in biology where cheminformatics plays an important role in …

With the growing availability of cheap and fast computing resources, increasingly detailed
and sophisticated computational studies of homogeneous organometallic catalysis have …

In this paper, we demonstrate through examples how the concept of a Semantic Web based
knowledge graph can be used to integrate combustion modeling into cross-disciplinary …

Over the last couple of decades, the scientific community has made large efforts to process
and store experimental and computational chemical data and information on the world wide …