Rajwade Ram Prakash, Pande Rama
School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur, Chhattisgarh, India.
Anal Chim Acta. 2008 Dec 23;630(2):205-10. doi: 10.1016/j.aca.2008.09.062. Epub 2008 Oct 14.
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.
采用C18（Hypersil Gold）柱作为固定相，甲醇 - 水混合物作为流动相，对19种N - 芳基取代异羟肟酸进行了反相高效液相色谱（RP - HPLC）实验。保留参数log k(w)是通过将logk'保留值线性外推至以纯水作为流动相而获得的。自组织分子场分析（SOMFA）用于为这组分子的log k(w)值生成三维定量构效关系（3D - QSPR）模型。统计结果，交叉验证q(2)（0.859）和非交叉验证r(2)（0.878）显示出令人满意的预测能力。
