Retention time prediction in liquid chromatography plays an important role in molecule annotation and method optimization, however, the accuracy of current quantitative structure−retention relationship models highly depends on the chromatographic method (CM). Here, the authors develop a generic model featuring a post-projection calibration to eliminate the impact of specific CMs, reaching similar ranking levels of putative candidates among different CMs.
- Yan Zhang
- Fei Liu
- Qing He Zhang