Pharma 5.0

Medicinal chemistry: the next step for AI-designed drugs

Published: 12-May-2025

Integrating AI into medicinal chemistry is accelerating drug discovery and development, enhancing precision and reducing costs through advanced data analysis, molecular prediction and automated syntheses, reports Yann Gaston-Mathé, founder and CEO at Iktos

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Blending empirical knowledge with innovative experimentation to transform natural substances into therapeutic agents, medicinal chemistry has long been regarded as a meticulous craft.

This discipline, which emerged approximately 150 years ago, has its roots in ancient practices when healers utilised plant extracts to treat ailments.1

Early breakthroughs, such as Friedrich Sertürner’s 1804 isolation of morphine, marked the inception of systematic drug discovery when traditional methods relied heavily on extensive trial and error.

With time, the field has evolved, incorporating advancements in organic chemistry, molecular biology and pharmacology to design and optimise pharmaceutical compounds. 

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