Evaluation of lipophilicity of N-arylhydroxamic acids by reversed phase-high performance liquid chromatographic method and self-organizing molecular field analysis

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 kw, was obtained by linear extrapolation of the log k′ 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 kw values of these set of molecules. The statistical results, cross-validation q2 (0.859) and noncross-validation r2 (0.878), show a satisfied predictive ability.