Deep learning for retention time prediction in reversed-phase liquid chromatography
E. S. Fedorova, Dmitriy D. Matyushin, I. V. Plyushchenko, А. Н. Ставрианиди, Aleksey K. Buryak
Topics & Concepts
ChemistryHigh-performance liquid chromatographyRetention timeConvolutional neural networkChromatographyArtificial intelligenceGeneralizationMean squared prediction errorData setArtificial neural networkDeep learningPattern recognition (psychology)Machine learningComputer scienceMathematicsMathematical analysisComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyMetabolomics and Mass Spectrometry Studies