Describing Chemical Functional Groups in OWL-DL for the Classification of Chemical Compounds

Functional groups describe the semantics of chemical reactivity in terms of atoms and their connectivity, which exhibit characteristic chemical behavior when present in a compound. In this paper, we take a first step towards designing an OWL-DL ontology of functional groups for the classification of chemical compounds. We highlight the capabilities and

• Type: Conference
• Year: 2007
• Where: OWLED
• Authors: Natalia Villanueva-Rosales, Michel Dumontier
• Keywords: Chemical Reactivity, Exhibit Characteristic Chemical, Functional Groups, Natural Language Processing, OWLED 2007