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The Analytical Scientist / Issues / 2026 / March / When AI Meets Physics A Microcosmic Revolution in Liquid Chromatography
Data and AI Liquid Chromatography Pharma and Biopharma

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

By Fabrice Gritti 03/18/2026 7 min read
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Clinical Scorecard: When AI Meets Physics: A Microcosmic Revolution in Liquid Chromatography

At a Glance

CategoryDetail
ConditionLiquid Chromatography Retention Time Prediction
Key MechanismsUtilization of AI, ML, and DL to analyze complex data for improved retention time predictions.
Target PopulationPharmaceutical industry and analytical chemists.
Care SettingLaboratories involved in drug development and analytical chemistry.

Key Highlights

  • AI enhances data processing speed and accuracy in chromatography.
  • Improved retention time predictions can streamline drug development.
  • AI can identify patterns that traditional models fail to recognize.

Guideline-Based Recommendations

Diagnosis

  • Utilize AI-based methods for analyzing retention time data.

Management

  • Incorporate ML algorithms to improve method development and compound identification.

Monitoring & Follow-up

  • Regularly assess the accuracy of AI predictions against experimental data.

Risks

  • Be aware of potential errors in input data leading to inaccurate predictions.

Patient & Prescribing Data

Patients requiring safe and effective pharmaceutical treatments.

AI can reduce drug impurities and enhance the overall drug development lifecycle.

Clinical Best Practices

  • Combine AI approaches with traditional models for comprehensive analysis.
  • Ensure high-quality input data to minimize prediction errors.

References

  • AI in Liquid Chromatography

This content is an AI-generated, fully rewritten summary based on a published scholarly article. It does not reproduce the original text and is not a substitute for the original publication. Readers are encouraged to consult the source for full context, data, and methodology.

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About the Author(s)

Fabrice Gritti

Fabrice Gritti is based at the Waters Corporation, Milford, USA.

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