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

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.