We have recently developed a QSPR framework for the in-silico prediction and system transfer of SFC−MS retention time on the basis of molecular structures. Check the open access publication: Consonni, V., Rojas, C., Guerrero, J., Mendoza, M., Termopoli, V., Ballabio, D. (2025) Kernel-based reliability potential to assist QSPR prediction and system transfer of SFC−MS retention time, Chemometrics and Intelligent Laboratory Systems, 263,105435 [link]
Data to reproduce the models proposed in the manuscript are available in the download section of our website, at this link.