Discovering knowledge hidden in a chemical database using a commercially available data mining tool
Discovering knowledge hidden in a chemical database using a commercially available data mining tool
- Author(s): C.H. Bryant ; A.E. Adam ; G.V. Conroy ; D.R. Taylor ; R.C. Rowe
- DOI: 10.1049/ic:19950126
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- Author(s): C.H. Bryant ; A.E. Adam ; G.V. Conroy ; D.R. Taylor ; R.C. Rowe Source: IEE Colloquium on Knowledge Discovery in Databases, 1995 page ()
- Conference: IEE Colloquium on Knowledge Discovery in Databases
Describes DataMariner, a commercially available tool that is designed to facilitate the discovery of knowledge hidden in databases. The potential of the tool for scientific applications is illustrated via a case study. This is both the first application of this particular tool to a scientific domain and the first project to describe the application of data mining techniques to the analytical separation of a chemical mixture, known as an enantiomer pair, using Pirkle-type chiral stationary phases. DataMariner was successfully used to develop and validate rules for the domain of the case study. Although it is not easy to provide a justification for the rules by looking at them, the results suggest that they have a high degree of accuracy. (5 pages)
Inspec keywords: knowledge acquisition; chemistry computing; deductive databases
Subjects: Deductive databases; Knowledge engineering techniques; Knowledge engineering tools; Physics and chemistry computing
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