[Application of the rough sets theory to the analysis of structure-activity relationships of pyridinium antifungal compounds].
Relationships between chemical structure and antifungal activity of 72 quaternary pyridinium chlorides were analysed using the method of rough sets. In the information system the compounds are described by eight condition attributes and divided into three classes of activity. Using the rough sets approach a smallest set of four condition attributes significant for a high quality of classification and accuracy of classes has been found. The resulting decision algorithm describes relations between structure and antifungal activity in terms of significant condition attributes. It may be helpful in predicting structures of new antifungal compounds to be synthesized.
Krysiński
J
J
Lehrstuhl für Arzneimitteltechnologie, Medizinischen Akademie, Poznań, Polen.
D000465:Algorithms; D000935:Antifungal Agents / Q000494:pharmacology*; D008954:Models, Biological; D011726:Pyridinium Compounds / Q000494:pharmacology*; D013329:Structure-Activity Relationship
D000935:Antifungal Agents; D011726:Pyridinium Compounds
Anwendung der Grob-Mengen-Theorie zur Analyse der Struktur-Wirkung-Beziehungen von antifungiellen Pyridiniumverbindungen.