Krysiński J
Lehrstuhl für Arzneimitteltechnologie, Medizinischen Akademie, Poznań, Polen.
Pharmazie. 1991 Dec;46(12):878-81.
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.
运用粗糙集理论分析了53种季铵吡啶化合物的化学结构与抗菌活性之间的关系。这些化合物由8个与结构相关的属性进行描述，并被分为5类活性。该描述构建了一个信息系统。使用粗糙集方法，已找到对于高质量分类具有重要意义的最小属性集。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。
