AI Algorithm designs APIs for Pharma Industry #innovativeAI

An AI Algorithm for Designing New APIs in the Phama Industry

Researchers at ETH Zurich have developed an AI algorithm called DRAGONFLY that can design new APIs to match a protein’s 3D surface structure. The algorithm uses deep learning and chemical language models to generate molecules that can be synthesized easily. DRAGONFLY focuses on suggesting APIs that interact with specific proteins to reduce side effects and create compound libraries tailored for specific bioactivity. The algorithm has been tested with Roche and other partners, showing promising results in increasing the activity of PPARs and designing stable, non-toxic APIs. It is also being used in a project with the Children’s Hospital Zurich for the treatment of medulloblastomas. The researchers believe that DRAGONFLY outperforms standard CLMs for molecular design and has the capacity to explore new regions of chemical space. The algorithm and its software have been made openly available for researchers worldwide to use in their projects.

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