论文部分内容阅读
本文对苯并[a]吖啶和苯并[c]吖啶衍生物中具有较确切致癌活性标度的40个化合物,进行了HMO计算。对计算所得的分子轨道参数进行了多元回归分析,建立了致癌活性与分子轨道参数的定量关系式。该式对致癌与非致癌物质的正确区分率为90％。
In this paper, 40 compounds with more precise oncogenic activity in benzo [a] acridine and benzo [c] acridine derivatives were calculated. Multivariate regression analysis was performed on the calculated molecular orbital parameters to establish a quantitative relationship between the oncogenic activity and molecular orbital parameters. The correct distinction between carcinogenic and non-carcinogenic substances is 90%.