title: Quantitative structure-retention relationships in doping control.
abstract: 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.
authors.affiliation: Doping Control Laboratory of Athens, Olympic Athletic Centre of Athens, Maroussi, Greece.
authors.forename: C G
authors.initials: CG
authors.lastname: Georgakopoulos
authors.forename: J C
authors.initials: JC
authors.lastname: Kiburis
mesh_terms: D045930:Anabolic Agents / Q000737:chemistry; D000697:Central Nervous System Stimulants / Q000737:chemistry; D002849:Chromatography, Gas; D004300:Doping in Sports / Q000517:prevention & control; D013287:Illicit Drugs / Q000737:chemistry*; D008956:Models, Chemical; D015233:Models, Statistical; D009294:Narcotics / Q000737:chemistry; D012044:Regression Analysis; D012984:Software; D013329:Structure-Activity Relationship; D015813:Substance Abuse Detection
chemical_list: D045930:Anabolic Agents; D000697:Central Nervous System Stimulants; D013287:Illicit Drugs; D009294:Narcotics