Currently each defined SMARTS strings in presets has one (sometimes a bit unnatural) name. Some names also have underscores in them. For each substructure, we need a short list of valid alternative names for it. These can be LLM generated in bulk and then chemist-reviewed :D
Currently each defined SMARTS strings in presets has one (sometimes a bit unnatural) name. Some names also have underscores in them. For each substructure, we need a short list of valid alternative names for it. These can be LLM generated in bulk and then chemist-reviewed :D