QSRR: Quantitative Structure-(Chromatographic) retention relationships

The quantitative structure-retention relationships are the most widely manifestations of linear free-energy relationships and the most often reported results of chemometric data processing. In addition, performance in QSSR verifies well the reliability of the numerous proposed chemometric methods as well as structural descriptors of chemical compounds. Its potential for identification of chromatographed analytes must be recognized. Intermolecular interactions determining separations on specific stationary phases may be identified and quantitatively compared. Chromatographically derived lipophilicity parameters to pharmacokinetic properties facilitates selecting those drugs candidates. Development of QSSR studies not only enlarge the areas of applications but also increase understanding of chemistry.