6533b7dbfe1ef96bd1270cc9
RESEARCH PRODUCT
Prediction of chromatographic properties of organophosphorus insecticides by molecular connectivity
Rafael GozalbesJ. Gálvez-alvarezJ.v. De Julián-ortizRamón García-domenechG. M. Antón-fossubject
Multivariate statisticsQuantitative structure–activity relationshipChromatographyElutionChemistryOrganic ChemistryClinical BiochemistryStatistical parameterRegression analysisDerivativeBiochemistryStability (probability)Analytical ChemistryMultiple correlationdescription
A study is reported of the relationship between theR F values for a group of organophosphorus insecticides obtained by thin layer chromatography and a series of topological descriptors. By using multivariate regression, the corresponding connectivity functions were obtained, which had been selected on the basis of their respective statistical parameters: multiple correlation coefficient (r), standard error of estimate (s), F-Snedecor values and statistical significance (Student’s t). Regression analysis of the connectivity functions can predict the elution behaviour of any structurally similar derivative of this group of compounds with different stationary and mobile phases. Stability studies of the prediction models selected were carried out and yielded good stability in all cases. These results demonstrate the ability of Molecular Topology to identify and predict different structural features that determine theR F values of organophosphorus insecticides obtained by TLC.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2000-03-01 |