[Rough sets theory in structure-activity relationship analysis of quaternary pyridinium compounds].
Relationship between chemical structure and antimicrobial activity of 53 quaternary pyridinium compounds is analysed using the theory of rough sets. The compounds are described by 8 attributes concerning structure and are divided into 5 classes of activity. The description builds up an 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 derived from the information system showing important relations between structure and activity. It may be helpful in supporting decisions concerning synthesis of new antimicrobial compounds.
Krysiński
J
J
Lehrstuhl für Arzneimitteltechnologie, Medizinischen Akademie, Poznań, Polen.
D000465:Algorithms; D004926:Escherichia coli / Q000187:drug effects; D011550:Pseudomonas aeruginosa / Q000187:drug effects; D011726:Pyridinium Compounds / Q000138:chemical synthesis / Q000494:pharmacology*; D013223:Statistics as Topic; D013329:Structure-Activity Relationship
D011726:Pyridinium Compounds
Grob-Mengen-Theorie in der Analyse der Struktur-Wirkungs-Beziehungen von quartären Pyridiniumverbindungen.