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Information Journal Paper

Title

QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDY OF VOLATILE ORGANIC COMPOUNDS IN WASTE WATER BY CHEMOMETRICS METHODS

Pages

  50-55

Abstract

 A quantitative structure-activity relationship (QSAR) study is suggested for the prediction of retention time of VOLATILE ORGANIC COMPOUNDS in waste water. Modeling of the retention time of volatile compounds as a function of molecular structures was established by means of the chemometrics methods such as partial least squares (PLS) and least squares support vector machines (LS-SVM). These models were applied for the prediction of the RETENTION TIMES of these compounds, which were not in the modeling procedure. The predictive quality of the QSAR models were tested for an external prediction set of 8 compounds randomly chosen from 59 compounds. The resulted model showed high prediction ability with root mean square error of prediction of 0.0335 for LS-SVM.

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    APA: Copy

    YAZDANPOUR, A.. (2008). QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDY OF VOLATILE ORGANIC COMPOUNDS IN WASTE WATER BY CHEMOMETRICS METHODS. JOURNAL OF SCIENCES (ISLAMIC AZAD UNIVERSITY), 18(68 (CHEMISTRY ISSUE)), 50-55. SID. https://sid.ir/paper/70334/en

    Vancouver: Copy

    YAZDANPOUR A.. QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDY OF VOLATILE ORGANIC COMPOUNDS IN WASTE WATER BY CHEMOMETRICS METHODS. JOURNAL OF SCIENCES (ISLAMIC AZAD UNIVERSITY)[Internet]. 2008;18(68 (CHEMISTRY ISSUE)):50-55. Available from: https://sid.ir/paper/70334/en

    IEEE: Copy

    A. YAZDANPOUR, “QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDY OF VOLATILE ORGANIC COMPOUNDS IN WASTE WATER BY CHEMOMETRICS METHODS,” JOURNAL OF SCIENCES (ISLAMIC AZAD UNIVERSITY), vol. 18, no. 68 (CHEMISTRY ISSUE), pp. 50–55, 2008, [Online]. Available: https://sid.ir/paper/70334/en

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