Regression equation modelling was used for the correlation of gas chromatographic relative retention times t(RR) of anabolic steroids, stimulants and narcotics with their molecular characteristics in order to create a model for the prediction of t(RR) values of unanalysed 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.
Georgakopoulos, C. G., & Kiburis, J. C. (1996). Quantitative structure-retention relationships in doping control. Journal of Chromatography B: Biomedical Applications, 687(1), 151–156. https://doi.org/10.1016/S0378-4347(96)00167-3