Hamerton I, Howlin B J, Larwood V
Department of Chemistry, University of Surrey, Guildford, U.K.
J Mol Graph. 1995 Feb;13(1):14-7, 51. doi: 10.1016/0263-7855(94)00009-h.
The technique of quantitative structure-activity relationships (QSAR) is well accepted by the drug design community. The analogous technique of quantitative structure-property relationships (QSPR) has applications in the field of polymer chemistry. A variety of molecular modeling and molecular orbital techniques was used to find molecular descriptors that could be used to derive an empirical equation to describe the glass transition temperature of two related classes of poly(arylene ether)s. The derived equation was then used to predict the thermal characteristics of another polymer of the same type.
定量构效关系（QSAR）技术已被药物设计领域广泛接受。定量构性关系（QSPR）的类似技术在高分子化学领域有应用。使用了多种分子建模和分子轨道技术来寻找分子描述符，这些描述符可用于推导一个经验方程，以描述两类相关聚亚芳基醚的玻璃化转变温度。然后，所推导的方程被用于预测同一类型的另一种聚合物的热特性。
