Commentary & Perspectives

When AI Meets Physics: A Microcosmic Revolution in Liquid Chromatography

How physics-informed machine learning can more accurately predict retention times in LC and speed up drug development

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The integration of artificial intelligence (AI), machine learning (ML), and deep learning (DL) in analytical chemistry is poised to revolutionize the field, particularly in liquid chromatography (LC). This technological shift aims to streamline pharmaceutical processes by accurately predicting retention times, thereby enhancing efficiency in drug development. Despite the challenges posed by traditional models, combining AI with physics-based approaches, such as molecular dynamics simulations (MDS), may address the intricacies of adsorption phenomena unique to LC. Ultimately, this revolutionary approach could transform how drugs are developed and analyzed over the coming years.

Original Source(s)

When AI Meets Physics: A Microcosmic Revolution in Liquid Chromatography

  • by Fabrice Gritti

  • March 18, 2026