Feasibility of Estimating the Novel Quantitative Structure-Activity Relationship (QSAR) Descriptor σ_<S°> by Means of Gas-Liquid Chromatography. I. : Halogenobenzene Derivatives
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概要
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The separation coefficients (log γ) of halogenobenzene derivatives obtained by means of gas-liquid chromatography have been subjected to the regression analysis, using the novel quantitative structure-activity relationship (QSAR) descriptor σ_<S°>, together with the sum of Swain-Lupton's resonance parameter ΣR. The result indicated that the former is the major determinant, whereas the latter is minor. From the above result, the successful estimation of unknown values of σ_<S°> has been achieved for polyhalogenobenzene derivatives. Furthermore, the values of S^°_<298>(g) agree well with observed values determined by statistical thermodynamics.
- 公益社団法人日本薬学会の論文
- 1989-06-25
著者
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川木 秀子
Faculty of Pharmaceutical Sciences, Kinki University
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佐々木 喜男
Faculty of Pharmaceutical Sciences, Osaka University
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佐々木 喜男
Faculty Of Pharmaceutical Sciences Osaka University
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高木 達也
Genome Information Research Center Osaka University
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藤井 志保
Faculty of Pharmaceutical Sciences, Osaka University
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TAKAGI Tatsuya
Faculty of Pharmaceutical Sciences, Osaka University
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藤井 志保
Faculty Of Pharmaceutical Sciences Osaka University
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川木 秀子
Faculty Of Pharmaceutical Sciences Kinki University
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Takagi Tatsuya
Faculty Of Pharmaceutical Sciences Osaka University
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