Krysinski J
Lehrstuhl für Arzneimitteltechnologie, Medizinischen Akademie, Poznan, Polen.
Arch Pharm (Weinheim). 1991 Nov;324(11):827-32. doi: 10.1002/ardp.2503241101.
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.
运用粗糙集理论分析了72种喹啉季铵盐和异喹啉季铵盐化合物的化学结构与抗菌活性之间的关系。这些化合物由11个与结构相关的属性进行描述，并被分为3类活性。该描述基于信息系统构建。使用粗糙集方法找到了一组对于高质量分类至关重要的最小属性集。从该信息系统推导出了一个决策算法，显示了结构与活性之间的重要关系。这可能有助于支持有关新型抗菌化合物合成的决策。
