摘要
用ＩＮＤＯ近似方法对５个抗瘤酮Ａ的化合物进行了量子化学计算，根据计算得到的能量参数ＥＨＯＭＯ和△ＥＬ－Ｈ与药效Ｒ之间的对应性，提出了一个说明性的方程。
Quantum chemistry calculation of five compounds of antitumor ketone A were carried out by using INDO approximation.Based on the correlation between the energy parameters E HOMO and Δ E L-H ,and the inhibitation effect R's of the compounds,an illustrative equation is suggested and,finally,an atentative explanation is given to the equation.
