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

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

Authors

AE Adam

DR Taylor

GV Conroy

RC Rowe



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)

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