The paper forecasts and studies the toxicity of 45 noxious organic compounds in Songhuajiang river by the study method of quantitative structure-activity relationship.
本文采用定量构效关系的研究方法，对松花江45种有毒有机物的毒性进行了预测与理论研究。
The comparison is made among forward selection method in the stepwise regression and PLS as well as ORS methods through the example of QSAR (quantitative structure activity relationship).
用该法处理构效关系问题，并与逐步回归正向选择法及PLS回归法进行了比较，得到满意的结果。
Quantitative structure activity relationship (QSAR) plays an obvious role in the study and use of toxicology. The prospect of application of QSAR in chemical toxicity research is summarized.
定量构效关系在毒理学的研究和实践中发挥着重要的作用。综述了定量构效关系在化合物毒性研究中的应用进展。
According to the acceptor theory, the quantitative structure-activity relationship was studied and the QSAR equation was established.
根据受体学说，进行定量构效关系(QSAR)研究，建立了QSAR方程。
Objective To study the quantitative structure-activity relationship (QSAR) of carbapenems and the design of new compounds.
目的研究碳青霉烯类化合物的定量构效关系(Q SAR)，并进行新的碳青霉烯类化合物的分子设计。
Quantitative structure-activity relationship is an active research field worldwide. It is a frontal task in agricultural chemistry, environmental chemistry and medicinal chemistry.
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 (QSAR) plays an obvious role in the study and use of toxicology.
定量构效关系在毒理学的研究和实践中发挥着重要的作用。
In chapter 2 and 3 of the thesis, quantum, topological, and hydrophobic descriptors were combined to study the quantitative structure - activity relationship of 88 phenylalkylamines.
本论文第二、第三章利用量子化学参数结合分子拓扑指数以及疏水性参数等研究了88个苯基烷胺类致幻剂的定量构效关系。
In chapter 2 and 3 of the thesis, quantum, topological, and hydrophobic descriptors were combined to study the quantitative structure - activity relationship of 88 phenylalkylamines.
本论文第二、第三章利用量子化学参数结合分子拓扑指数以及疏水性参数等研究了88个苯基烷胺类致幻剂的定量构效关系。
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