Journal of Coastal Zone Management

Jianmin Zhao

Publications

• Research Article
  Combined SVM-PLS Method for Predicting Estrogenic Activities of Organic Chemicals in the Coastal water
  Author(s): Fei Li, Lulu Cao, Huifeng Wu, Jianmin ZhaoFei Li, Lulu Cao, Huifeng Wu, Jianmin Zhao
  
  A data set of 517 natural, synthetic and environmental chemicals belonging to a broad range of structural classes have been tested for estrogenic activities (expressed as logREC10) to the estrogen receptor (ER) using a yeast twohybrid assay. In this study, quantitative structure- activity relationships (QSARs) were determined using two methods, partial least square (PLS) and support vector machine (SVM). The Q2 cum of the PLS model is 0.678, indicating high robustness and good predictive ability. The correlation coefficient (R) between the observed and the predicted values is 0.870, indicating the predicted values by the final QSAR models were in good agreement with the corresponding experimental values. Eight DRAGON descriptors were included in the PLS model, including Mor03p, L3e, R8p, RTv+ , R8e, R1p+ , R7p+ and HATSv , which implies that chemical estrogenic activities are related .. View More»
  

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