DFT study and quantitative structure-activity relationship for cephalosporin derivatives

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College of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China [1 ]
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Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao | 2007年 / 4卷 / 696-699期
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The molecular structures of nine kinds of cephalosporin derivatives were optimized by using density functional theory(DFT)B3LYP method of quantum chemistry, and the quantitative structure-activity relationship of these cephalosporin derivatives was systematically studied. The structure-activity model of cephalosporin derivatives was found: QC8, QC7, dipole had positive correlation on the activities of cephalosporin derivatives.
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页码：696 / 699
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