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DeepMind: an AI agent compresses a drug-design iteration to about an hour

2026-11-03 · Source: Google DeepMind

DeepMind: an AI agent compresses a drug-design iteration to about an hour
Image: Google DeepMind

Google DeepMind introduced "Cheminformatics Skills" for Google Antigravity. On real lung-cancer drug data, the agent searches thousands of compounds, runs matched molecular pair analysis (MMPA) and proposes novel macrocycles with synthetic routes in about an hour — a loop that typically takes several days. DeepMind itself cautions that the designs are testable hypotheses that must still be synthesised and validated experimentally.

Source: Google DeepMind

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