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  • Title: Evaluation of lipophilicity of N-arylhydroxamic acids by reversed phase-high performance liquid chromatographic method and self-organizing molecular field analysis.
    Author: Rajwade RP, Pande R.
    Journal: Anal Chim Acta; 2008 Dec 23; 630(2):205-10. PubMed ID: 19012833.
    Abstract:
    The RP-HPLC experiment of 19 N-arylsubstituted hydroxamic acids was carried out using a C18 (Hypersil Gold) column as a stationary phase and methanol-water mixture as mobile phase. The retention parameter, log k(w), was obtained by linear extrapolation of the logk' retention to pure water as the mobile phase. Self-organizing molecular field analysis (SOMFA), is used to generate three-dimensional quantitative structure-property relationship (3D-QSPR) models for log k(w) values of these set of molecules. The statistical results, cross-validation q(2) (0.859) and noncross-validation r(2) (0.878), show a satisfied predictive ability.
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