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.
Mikulak-Klucznik, et al., Computational planning of the synthesis of complex natural products, Nature 588, 83–88 (2020)
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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.