A chemistry fine-tuned LLM, Chemma, claims top benchmark results on retrosynthesis and yield prediction, and helped find working conditions for an unreported Suzuki coupling in 15 experiments.
Chenthamarakshan,et al., Accelerating drug target inhibitor discovery with a deep gen- erative foundation model, Science Advances 9, eadg7865 (2023)
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Large Language Models to Accelerate Organic Chemistry Synthesis
A chemistry fine-tuned LLM, Chemma, claims top benchmark results on retrosynthesis and yield prediction, and helped find working conditions for an unreported Suzuki coupling in 15 experiments.