Krysiński J
Chair of Pharmaceutical Technology, Medical Academy, Poznań, Poland.
J Pharm Sci. 1995 Feb;84(2):243-8. doi: 10.1002/jps.2600840225.
The relationship between chemical structure and antifungal activity of quaternary imidazolium compounds is analyzed. The compounds are described by a set of condition attributes concerning structure and by a decision attribute concerning activity. The description builds up an information system. The smallest set of condition attributes, significant for high-quality classifications, has been found by using the rough sets approach. The analysis of the distribution of the value of the significant condition attributes in the best and the worst classes lead to the definition of typical representatives of the best and the worst imidazolium chlorides in terms of the significant condition attributes. A decision algorithm has been developed from the information system, presenting an important relationship between structure and antifungal activity. This may be helpful in supporting decisions concerning synthesis of new antifungal imidazolium compounds.
分析了季铵化咪唑化合物的化学结构与抗真菌活性之间的关系。这些化合物由一组关于结构的条件属性和一个关于活性的决策属性来描述。该描述构建了一个信息系统。通过使用粗糙集方法，找到了对于高质量分类具有重要意义的最小条件属性集。对最佳和最差类别中重要条件属性值的分布分析，得出了就重要条件属性而言最佳和最差氯化咪唑鎓的典型代表的定义。从该信息系统开发了一种决策算法，它呈现了结构与抗真菌活性之间的重要关系。这可能有助于支持有关新型抗真菌咪唑化合物合成的决策。
