定量结构-活性关系(Quantitative Structure-Activity Relationship，QSAR)是一种非常重要的毒性研究方法，已广泛用于硝基芳烃类化合物的毒性研究。
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此外，根据线性溶剂化方程建立了定量结构-活性关系用于预测药物肠吸收、血脑屏障通透性和皮肤透过性。
Quantitative structure-activity relationships also have been established to predict drug intestinal absorption, permeation of skin and blood-brain barrier.
选用分子连接性指数法对毒性数据进行定量结构活性关系(QSAR)研究。
The quantitative structure-activity relationship (QSAR) models were developed for the toxicity by using the molecular connectivity index method.
该文就目前以分子模拟为手段的紫杉醇类分子的定量结构-抗癌活性关系研究进行了综述。
The up-to-date quantitative structure-antitumor activity relationship studies of taxol analogues based on molecular modeling techniques were reviewed in the present paper.
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