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This paper briefly describes ROSE software package. It is an interactive, modular system designed for analysis and knowledge discovery based on rough set theory in 32-bit operating systems on PC computers. It implements classical rough set theory as well as its extension based on variable precision model. It includes generation of decision rules for classification systems and knowledge discovery.L. Polkowski and A. Skowron (Eds.): RSCTC'98

The research concerns analysis of cause-effect relationships occurring between condition attributes describing structure and surface-active properties and decision attributes (antimicrobial activity) of alkyl(alkylthiomethyl)dimethylammonium chlorides and alkyl(alkoxymethyl)dimethylammonium chlorides. 72 ammonium chlorides were described by 7 condition attributes concerning structure and 7 condition attributes concerning surface-active properties. Antimicrobial activity was expressed by minimal inhibitory concentration (MIC) against strains of Pseudomonas aeruginosa ATCC 15442 (classification I) and Candida albicans ATCC 10231 (classification II). The ROSE 2 (Rough Sets Data Explorer) and LEM 2 (Minimal Set Covering Algorithm) software were used to perform the analysis. Attributes with continuous values were discretized. 45 decision rules were generated in the classification I, and 38 rules in the classification II. Those described the most important dependencies between structure, surface-active properties of analyzed chlorides and their antimicrobial activity. Strong decision rules supported by large number of objects provide guidelines which may facilitate synthesis of new compounds with preferable antimicrobial properties.

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The relationships between the chemical structure and the antielectrostatic effect of 180 imidazolium chlorides were analysed using the method of rough sets. The antielectrostatic activity was determined by measurements of the surface resistance. Using the rough sets approach the smallest set of condition attributes significant for high quality of classification has been found. The resulting decision rules describe relations between the structure and the antielectrostatic properties of imidazolium chlorides in terms of significant condition attributes. This may be helpful in predicting the structures of the new antielectrostatic compounds to be synthesized. * To receive all correspondence