A multi-agent AI system generates novel biomedical hypotheses that show promising experimental validation in drug repurposing for leukemia, new targets for liver fibrosis, and a bacterial gene transfer mechanism.
Sara Mahdavi, Christopher Semturs, David Fleet, Vivek Natarajan, and Shekoofeh Azizi
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Bolek injects Morgan fingerprint embeddings into an instruction-tuned text model, then fine-tunes on molecular alignment and synthetic chain-of-thought tasks to improve performance and grounding on 15 TDC binary classification endpoints while generalizing to unseen tasks.
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Towards an AI co-scientist
A multi-agent AI system generates novel biomedical hypotheses that show promising experimental validation in drug repurposing for leukemia, new targets for liver fibrosis, and a bacterial gene transfer mechanism.
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Bolek: A Multimodal Language Model for Molecular Reasoning
Bolek injects Morgan fingerprint embeddings into an instruction-tuned text model, then fine-tunes on molecular alignment and synthetic chain-of-thought tasks to improve performance and grounding on 15 TDC binary classification endpoints while generalizing to unseen tasks.