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AI for chemical reaction prediction and synthesis planning
Generative AI system for antibiotic discovery that searches billions of synthesizable molecules by combining molecular building blocks through real chemical reactions, experimentally validating novel compounds active against drug-resistant bacteria
AstraZeneca's industrial-grade retrosynthetic planning tool using MCTS to recursively decompose molecules into purchasable precursors, with multi-step route scoring and support for custom one-step models (v4.0, 2024)