Quantitative Structure-Retention Relationships of Organophosphate Compounds and Robust Analysis
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    Abstract:

    Using the best subset regression technique,the quantitative structure-retention relationships(QSRR) of 35 organophosphate compounds on three different polar stationaries were established with topological indices as structural descriptors.All three QSRR models had good calibration ability.The cross-validation and external-validation showed that the corresponding QSRR model had strong predictive power.Monte Carlo simulation on R2,SE and coefficients of different QSRR models demonstrated that Monte Carlo method can be used to analyze the robustness of QSRR models.

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赵劲松,于书霞. Quantitative Structure-Retention Relationships of Organophosphate Compounds and Robust Analysis[J]. Jorunal of Huazhong Agricultural University,2010,29(2):164-168.

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  • Received:March 04,2009
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