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在定量结构-活性相关(QSAR)分析中,Hansch的线性自由能关系是应用最普遍的关系式,但该方法也存在许多局限性.Free-Wilson法在QSAR研究中有其独特之处,该法特别适用于具有相同母体结构的化合物,并且该方法又不需计算各化合物的物理性质,并可给出各取代基在各位置上的活性贡献,虽然该方法得到的解并不提供反应与活性间的真正信息,但是它可为研究化合物的反应中心,确定化合物的致活机制提供有益的信息,同时它也可为超热力学计算提供建设性的参数.
In QSAR analysis, Hansch’s linear free energy relationship is the most commonly used relation, but there are many limitations in this method.Free-Wilson method has its own uniqueness in QSAR research, The method is particularly suitable for compounds with the same parent structure and does not need to calculate the physical properties of each compound and gives the active contribution of each substituent at each position although the solution obtained by this method does not provide a reaction with Activity, but it can provide useful information for studying the reaction centers of compounds and for determining the mechanism of activation of compounds, and it can also provide constructive parameters for calculation of hyperthermodynamics.