Abstract
Relationships between chemical structure and antimicrobial activity of quaternary imidazolium, quinolinium and isoquinolinium compounds is analysed. The compounds are described by a set of condition attributes concerning structure and by a set of decision attributes concerning activity. The description builds up an information system. Using the rough sets approach, a smallest set of condition attributes significant for a high quality of classifications has been found. The analysis of distributions of values of significant attributes in the best and worst class led to the definition of typical representatives of the best and worst imidazolium compounds in the terms of the significant condition attributes. A decision algorithm has been derived from information system, showing up important relations between structure and activity. This may be helpful in supporting decisions concerning synthesis of new antimicrobial compouds.
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© 1992 Springer Science+Business Media Dordrecht
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Krysiński, J. (1992). Analysis of Structure — Activity Relationships of Quaternary Ammonium Compounds. In: Słowiński, R. (eds) Intelligent Decision Support. Theory and Decision Library, vol 11. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-7975-9_9
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DOI: https://doi.org/10.1007/978-94-015-7975-9_9
Publisher Name: Springer, Dordrecht
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