定量构效关系研究(Quantitative Structure and Activity Relationship, QSAR)是开发新药物的重要辅助手段。 尤其是在不知道受体结构的情况下,QSAR研究能够总结实验结果,确定下一...
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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。
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