Fig. 2. GA using an LLM. This figure illustrates how different aspects of a GA can be performed by an LLM. GPT-3.5 was used to fragment, reproduce, and optimize molecules represented by SMILES strings. The first column illustrated how an LLM can fragment a molecule represented by a SMILES string (input molecule on top, output LLM fragments below). The middle column showcases how an LLM can reproduce/mix two molecules as is done in a GA (input molecule on top, output LLM below). The right column illustrates an application in which an LLM is used to optimize molecules given their SMILES and an associated score. The LLM suggested potential modifications to optimize molecules. The plot shows best (blue) and mean (orange) Tanimoto similarity to vitamin C per LLM produced generations.