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估算有机物在正辛醇 -水体系分配系数对数值 (logp)的方法很多 ,本文应用Leo基团常数法和最近开发的AFC(atom /fregmentcontribution)方法估算结构复杂的药物分子的logp值。计算结果与实验值比较 ,其平均绝对偏差为 0 32～ 0 2 4logp单位。
There are many ways to estimate the logp of the partition coefficients of organic compounds in n-octanol-water system. In this paper, the logp values of complex drug molecules are estimated using the Leo group constant method and the recently developed AFC (atom / fregmentcontribution) method. The calculated results and experimental values, the average absolute deviation of 0 32 ~ 0 2 4logp units.