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

Bryant, CH; Adam, AE; Taylor, DR; Conroy, GV; Rowe, RC

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.

Citation

Bryant, C., Adam, A., Taylor, D., Conroy, G., & Rowe, R. (1995, February). Discovering knowledge hidden in a chemical database using a commercially available data mining tool. Presented at IEE Colloquium on Knowledge Discovery in Databases, London, UK

• Presentation Conference Type: Other
• Conference Name: IEE Colloquium on Knowledge Discovery in Databases
• Conference Location: London, UK
• Start Date: Feb 1, 1995
• Publication Date: Feb 2, 1995
• Deposit Date: Feb 17, 2009
• Publicly Available Date: Feb 17, 2009
• Series Title: IEE Computing and Control Division
• Series Number: Digest
• Keywords: DataMariner, pirkle-type chiral stationary phases, analytical separation, case study, data mining, enantiomer pair, knowledge discovery
• Publisher URL: http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=478350
• Additional Information: Presented at 'Knowledge discovery in databases' colloquium held at IEE, Savoy Place, London, WC2R OBL, UK. Digest No. 1995/021(B)