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- W3142559543 abstract "A three-descriptor quantitative structure-property relationship (QSPR) model,based on the support vector machine (SVM) algorithm,was constructed to predict the glass transition temperatures (Tgs) of polyarylates with complex structures.A total of 50 polyarylates were randomly divided into three sets,viz.,the training set (30 polymers),validation set (10 polymers) and prediction set (10 polymers).By adjusting various parameters by trial and error,the final optimum SVM model based on Austin Model 1 (AM1) calculation is a polynomial kernel with the parameters C of 100,e of 1.00E-05 and d of 2.The root-mean-square (RMS) errors obtained from the training set,validation set and prediction set are 19.4,12.8 and 15.5 K,respectively.Research results show that the proposed SVM model has better statistical quality than the previous models.Thus,applying the SVM algorithm to predict Tgs of polymers is feasible." @default.
- W3142559543 created "2021-04-13" @default.
- W3142559543 creator A5042299722 @default.
- W3142559543 date "2011-01-01" @default.
- W3142559543 modified "2023-09-23" @default.
- W3142559543 title "Prediction of Glass Transition Temperatures of Polyarylates Using a Support Vector Machine Model" @default.
- W3142559543 hasPublicationYear "2011" @default.
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