As someone in the drug discovery business I’m skeptical as I’ve seen many such “advances” flop.
I remember when computer aided drug design first came out (and several “quantum jumps” along the way). While useful they failed often at the most important cases.
New drugs tend to be developed in spaces we know very little about. Thus there is nothing useful for AI to be trained on.
Nothing quite like hearing from the computational scientist “if you make this one change it will improve binding by 1000x”. Then spending 3 weeks making it to find out it actually binds worse.
I remember when computer aided drug design first came out (and several “quantum jumps” along the way). While useful they failed often at the most important cases.
New drugs tend to be developed in spaces we know very little about. Thus there is nothing useful for AI to be trained on.
Nothing quite like hearing from the computational scientist “if you make this one change it will improve binding by 1000x”. Then spending 3 weeks making it to find out it actually binds worse.