Pharma 5.0

AI takes the lead: how computational discovery is redefining drug R&D

By Kevin Robinson | Published: 20-Nov-2025

AI-native modelling and GPU-driven simulation are transforming drug discovery workflows and reshaping the balance between pharma and biotech

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Drug discovery is undergoing a profound shift. After decades of incremental change, the rapid maturation of AI-powered modelling and simulation tools is beginning to rewrite the scientific method itself.

AI takes the lead: how computational discovery is redefining drug R&D

The industry now stands at an inflexion point where computational prediction and experimental validation are no longer sequential activities but part of a tightly unified cycle — accelerating timelines, sharpening decision making and redrawing competitive lines across the sector.

A central driver of this transformation is the direct integration of advanced structure prediction and binding-simulation capabilities into laboratory informatics platforms.


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