This could be a good use of AI. Since this regime is doing it, it probably won’t be. But, ML has been used for a while to help identify new drug compounds, find interactions, etc. It could be very useful in the FDA’s work.

The Four Thieves Vinegar Collective uses some software from MIT ASKCOS that uses neural networks to help identify reactions and retrosynthesis chains to produce chemical compounds.

You can check it out here