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.
在有机污染物的结构活性关系研究中，量子化学计算是获得分子结构参数的重要途径。
Usually quantum chemical calculation is an important way to get structural parameters of specific molecules in study of the structure-activity relationship of organic pollutants.
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.
选择从卫矛科南蛇藤属植物中分离的11个二氢沉香呋喃类纯化合物进行了结构——活性关系的初步研究。
The studies on the relation of structure-activity of 11 dihydroagarofuran compounds from Celastraceae Plants have been carried out in our laboratory.
这些结构确定、序列明确的硫酸寡糖，为进一步从分子水平上探讨其结构与活性关系提供了基础数据。
All these structural determined sulfated oligosaccharides offered basic data and will be further used, from the molecular lever, in the structure -activity study.
定量结构活性关系。
然而其抗肿瘤活性并未表现出明显的结构活性关系。
No obvious qualitative relationship was found between the structure of chiral compounds and their antitumor activities.
定量结构活性关系在国际上是一个相当活跃的研究领域，是农业化学、环境化学、药物化学中的一个前沿课题。
Quantitative structure-activity relationship is an active research field worldwide. It is a frontal task in agricultural chemistry, environmental chemistry and medicinal chemistry.
介绍了用于环境污染物结构毒性关系研究的软件，做为软件性能的检验，也进行了62种氮杂环芳胺及其致变活性关系的实例研究。
In this paper, an expert software system for the study of the QSAR on environmental pollution is introduced. The case study of the QSAR of 62 heterocyclic amines has been carried out.
介绍了用于环境污染物结构毒性关系研究的软件，做为软件性能的检验，也进行了62种氮杂环芳胺及其致变活性关系的实例研究。
In this paper, an expert software system for the study of the QSAR on environmental pollution is introduced. The case study of the QSAR of 62 heterocyclic amines has been carried out.
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