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Progress in Chemistry 2007, Vol. 19 Issue (10): 1612-1619 Previous Articles   Next Articles

• Review •

Application of QSAR/QSPR in fate evaluation and risk assessment of POPs

Wang Bin;Yu Gang**;Huang Jun;Hu Hongying

  

  1. Department of Environmental Sciences and Engineering, POPs Research Centre, Tsinghua University, Beijing 100084, China
  • Received: Revised: Online: Published:
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Persistent organic pollutants (POPs) are very hazardous organic pollutants that have caused much attention all over the world. The fate evaluation and risk assessment of POPs need a great deal of reliable property data and toxicity data. Quantitative structure-activity/property relationship (QSAR/QSPR) made it possible to acquire these data efficiently. QSAR/QSPR models have been widely used to predict the biological activities /properties of POPs and fill the missing data, and to explain the principle of environmental process and mechanism of ecological effects. In recent years, QSAR/QSPR models have also been further used to screen new POPs substances, model the fate of POPs and perform risk assessment caused by POPs. In this paper, the basic application of QSAR/QSPR in the prediction of properties and biological activities of POPs was reviewed. Then the advanced application of QSAR/QSPR in the fate evaluation and risk assessment of POPs was also presented. Lastly, the prospect of QSAR/QSPR research in the field of POPs was proposed.
Key words: quantitative structure-activity/property relationship (QSAR/QSPR), persistent organic pollutants (POPs), fate, risk assessment

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