Discovering knowledge hidden in a chemical database using a commercially available data mining tool

Author

Bryant, C.H. ; Adam, A.E. ; Conroy, G.V. ; Taylor, D.R. ; Rowe, R.C.

Author_Institution

Dept. of Comput., Univ. of Manchester Inst. of Sci. & Technol., UK

fYear

1995

fDate

2/2/1995 12:00:00 AM

Firstpage

42522

Lastpage

42526

Abstract

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

Keywords

chemistry computing; deductive databases; knowledge acquisition; DataMariner; Pirkle-type chiral stationary phases; accuracy; analytical separation; case study; chemical database; chemical mixture; data mining tool; enantiomer pair; knowledge discovery; rule validation; scientific applications;

fLanguage

English

Publisher

iet

Conference_Titel

Knowledge Discovery in Databases, [IEE Colloquium on]

Type

conf

DOI

10.1049/ic:19950126

Filename

478350