【摘要】 应用化学模式识别方法研究磺酰脲类除草剂杂环结构与活性关系的分类问题 .当以杂环上负电原子的净电荷组成模式空间时 ,可成功地将所研究磺酰脲类化合物按杂环分别为嘧啶环或三嗪环进行分类 ,主成分分析结果 ( Principal Component Analysis,PCA)令人满意 ,并初步探讨了杂环结构对活性产生影响的原因 .更多还原

【Abstract】 In this paper, chemical pattern recognition was used to study the classification between the structures of sulfonylurea herbicides’ heterocycles and their activities. When only the net charges of negative atoms in hetericycles consisted of the pattern space, the sulfonylurea compounds could be successfully classified according to whether the heterocycles were the pyrimidines or the trizines. The result of Principal Component Analysis (PCA) was satisfied and how the structure of heterocle affected ctivity was also discussed.更多还原