Good question. My guess at first pass is that {P,T}IHKAL has explored the easy search space? But, I'm not very certain here.
Also, the Usona Institute had a job posting for a psychedelic chemist doing just that earlier this year. They are the group supporting the psilocybin phase 3 trials.
Also, the Usona Institute had a job posting for a psychedelic chemist doing just that earlier this year. They are the group supporting the psilocybin phase 3 trials.