Computational prediction of retention times of veterinary antibiotics obtained by liquid chromatography-mass spectrometry.

Background: Veterinary antibiotics are chemical compounds used to kill or inhibit the growth of pathogenic bacteria associated with animal diseases. These molecules can be defined by their retention times (t) in liquid chromatography-mass spectrometry (LC-MS). One strategy to predict the t of new veterinary antibiotics is the development of predictive quantitative structure-property relationships (QSPRs), which were used in this study.