The race to build AI scientists is hotter than ever, with the goal of creating AI that can perform the entire scientific process end to end. Our vision is different. Rather than building a general-purpose AI scientist, we set out to build a specialized AI agent that excels at one scientific task that can be evaluated quantitatively. Through conversations with chemists, we identified NMR structure elucidation as a recurring bottleneck accross disciplines that is time-consuming and still depends heavily on expert interpretation. This motivated us to develop an AI agent specifically for NMR structure elucidation.
