Dataset for "Large Language Models as molecular design engines"
This dataset contains data and results associated with the paper "Large Language Models as molecular design engines" The paper investigates the use of large language models, specifically Claude 3 Opus, for generating and analyzing chemical structures based on various prompts from A-H (as mentioned in the manuscript), and guided design related to electron-withdrawing groups (EWG), electron-donating groups (EDG).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗