二十年来,随着定量构-效关系研究的发展,脂水分配系数log P 已被公认为Hansch分析中最重要的理化参数。为了准确估计log P值,在克服疏水性取代基常数法不足的基础上,先是Rekker,随后Leo 和Hansch发展了碎片方法。两种方法的差异在于得到疏水性碎片常数的途径不同。本文将围绕确定两种体系碎片常数的方法及校正因素有关内容,对它们加以评述和比较,讨论其应用和限制范围,并指出搞清水化/溶剂化效应和体积因素的影响,是对改进log P计算方法迈出的重大一步。两种体系的疏水性碎片常数表1给出Rekker(f)和Leo(f’)两体系中重要基团的碎片常数及差别的幅度。Rekker的 Over the past two decades, with the development of quantitative structure-activity studies, the log P distribution coefficient has been accepted as the most important physical and chemical parameter in Hansch analysis. In order to accurately estimate the log P value, Rekker was first developed to overcome the deficiencies of the hydrophobic substituent constant method and Leo and Hansch subsequently developed the fragmentation method. The difference between the two methods is that there are different ways of obtaining the hydrophobic fragment constant. This article will focus on determining the two systems of debris constant method and correction factors related to them, to review and compare their applications and to limit their scope and pointed out to clarify the effect of hydration / solvation effects and volume factors, is to improve the log P calculation method is a major step. Hydrophobic fragment constants for both systems Table 1 gives the fragment constants and the amplitudes of the differences for the important groups in the Rekker (f) and Leo (f ’) systems. Rekker’s