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 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.
Rajwade
Ram Prakash
RP
School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur, Chhattisgarh, India.
Pande
Rama
R
D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D006877:Hydroxamic Acids / Q000138:chemical synthesis / Q000737:chemistry*; D008055:Lipids / Q000737:chemistry*; D008956:Models, Chemical; D015394:Molecular Structure; D013329:Structure-Activity Relationship
D006877:Hydroxamic Acids; D008055:Lipids