Influence of descriptor database selection on modeling retention factors in capillary micellar and microemulsion electrokinetic chromatography using the solvation parameter model

Abraham's solvation parameter model has been widely used to model retention in capillary micellar and microemulsion electrokinetic chromatography systems. To fit or predict retention factors in separation systems experimentally determined compound descriptors are required. These are typically obtained from two sources: the Abraham and Wayne State University (WSU) compound descriptor databases. Alternatively, compound descriptors can be estimated from molecular structures using computational,...