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- paper-36 type InProceedings.
- paper-36 label "Describing chemical functional groups in OWL-DL for the classification of chemical compounds".
- paper-36 sameAs paper-36.
- paper-36 abstract "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 ontology of functional groups for the classification of chemical compounds. We highlight the capabilities and limitations OWL 1.0 and the proposed OWL 1.1 in terms of our domain requirements. We also illustrate how cyclic structures may be identified from SWRL rules and suggest OWL-DL extensions for reasoners to achieve this objective. This work represents a preliminary step towards describing, reasoning and querying about structure and function of molecules.".
- paper-36 hasAuthorList authorList.
- paper-36 keyword "OWL".
- paper-36 keyword "chemistry".
- paper-36 keyword "functional groups".
- paper-36 keyword "knowledge discovery".
- paper-36 keyword "ontology".
- paper-36 title "Describing chemical functional groups in OWL-DL for the classification of chemical compounds".