Quantitative structure-retention relationships in doping control.

Regression equation modelling was used for the correlation of gas chromatographic relative retention times tRR of anabolic steroids, stimulants and narcotics with their molecular characteristics in order to create a model for the prediction of tRR values of unanalyzed molecules. Predicting chromatographic retention parameters is one of the main goals of the quantitative structure-retention relationships (QSRR) methodology. To be performed, QSRR studies require two tools; a methodology for the extraction of the structural characteristics and a statistical program for the correlation of these characteristics with the chromatographic data.