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对多环芳烃 (PAHs)的致癌性而言 ,必然存在一个最优化的一阶对数拓扑指数(L TI(I) ) ,经推算该值为 2 3.2 2。由此提出了一个预测 PAHs致癌性的定量公式 ,利用该公式估算了 72个 PAHs的致癌性 ,其结果与实验数据吻合较好
For the carcinogenicity of polycyclic aromatic hydrocarbons (PAHs), there is an optimal first-order logarithmic topological index (L TI (I)), which is estimated to be 2 3.2 2. Thus, a quantitative formula for predicting the carcinogenicity of PAHs was proposed and the carcinogenicity of 72 PAHs was estimated using this formula. The results are in good agreement with the experimental data