One interesting task for LLMs would be to have them construct so-called 'green chemistry' alternatives to common industrial synthesis pathways. The term should

One interesting task for LLMs would be to have them construct so-called 'green chemistry' alternatives to common industrial synthesis pathways. The term should really be 'closed-loop synthesis' in which the only thing being produced is the desired product, and all waste molecules get recycled back into the starting products. However, those would likely either be novel synthesis steps or novel ways of arranging known synthesis steps, and I'm not sure LLMs would be able to generate such pathways as there'd be no existing examples in the literature. A similar problem would be the design of novel catalysts for industrial chemical processes that are more efficient and cheaper to manufacturer (and perhaps safer to handle) compared to existing ones.