AI-Powered Platform Accelerates Drug Design by Predicting Chemical Reactions
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Researchers developed a platform combining automated experiments and AI to predict chemical reactions and accelerate drug design.
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The "chemical reactome" platform is data-driven, trained on 39,000+ pharmaceutical reactions, and reveals hidden relationships between reactions.
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A separate machine learning model enables targeted, late-stage tweaks to complex drug molecules without rebuilding from scratch.
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The models overcome limited data by pre-training on large datasets of similar chemistry before fine-tuning to the problem.
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The reactome could change how organic chemists think by enabling faster, more predictive molecular design.