Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times
https://bio.informatik.uni-jena.de/2024/12/times-are-changing-but-order-matters/
#LCMS #RetentionTime #chromatograpy #bioinformatics #cheminformatics
Times are changing but order matters | Lehrstuhl Bioinformatik Jena

Our preprint Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times is finally available on chemRxiv! Congratulations to Fleming and all authors. In short, we show that prediction of retention times is a somewhat ill-posed problem, as retention times vary substantially even for nominally identical condition. Next, we show