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- W2361149098 abstract "Molecular electronegativity-distance vector(Mt) was used to describe the molecular structures of 165 nonionic organic compounds in this paper.A quantitative linear relationship between 32 Mt descriptors and bioconcentration factor(lg BCF) of 122 NOC was set up using the method of multiple linear regression(MLR).The satisfactory model of 4 parameters(such as M15,M17,M36,M91) was built by stepwise multiple regression and the Jackknifed method(the leave-one-out,LOO),of which the calibrated correlation coefficient(R) was 0.960 and the validated correlation coefficient(q2) was 0.915.The 4-variable model has shed light on some main structural factors influencing the BCF on NOC,which shows the good estimation ability and robustness.A prediction power for the external sample of 11 NOC was validated by the model built from the training set with 111 NOC." @default.
- W2361149098 created "2016-06-24" @default.
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- W2361149098 date "2011-01-01" @default.
- W2361149098 modified "2023-09-23" @default.
- W2361149098 title "Estimation and Prediction of Bioconcentration Factors of Nonionic Organic Compounds in Fish by Electronegativity-Distance Vector" @default.
- W2361149098 hasPublicationYear "2011" @default.
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