Linking reaction mechanisms and quantum chemistry: An ontological approach
Feroz Farazi, Nenad Krdžavac, Jethro Akroyd, Sebastian Mosbach, Angiras Menon, Daniel Nurkowski, Markus Kraft
Topics & Concepts
Computer scienceQuantum chemicalOntologyTheoretical computer scienceGraphQuantumKnowledge graphMechanism (biology)ChemistryInformation retrievalMoleculePhysicsQuantum mechanicsOrganic chemistryPhilosophyEpistemologySemantic Web and OntologiesCatalysis and Oxidation ReactionsService-Oriented Architecture and Web Services