[Rough sets theory in the analysis of structure-activity relationships of quaternary quinolinium- and isoquinolinium...

Relationship between chemical structure and antimicrobial activity of 72 quaternary quinolinium and isoquinolinium compounds is analyzed using the theory of rough sets. The compounds are described by 11 attributes concerning structure and are divided into 3 classes of activity. The description builds up on information system. Using the rough sets approach a smallest set of attributes significant for a high quality of classification has been found. A decision algorithm has been driven from the information system showing up important relations between structure and activity. This may be helpful in supporting decisions concerning synthesis of new antimicrobial compounds.