Comment by alpineidyll3

Hype over crap like this grinds my gears. Organophosphines like VX are ALL toxic. There's about a zillion such toxic molecules all containing the same functional group. This study does not demonstrate that this tool is better generator of toxic molecules than anything that includes the basic rules of valence and rudimentary understanding of shape similarity.

When thinking about whether ML does something novel, we must always compare with some simple alternative. I would be impressed if it'd predicted something like Palytoxin, a highly specific molecule with extraordinary toxic activity. There's no way the tools of this paper would though.

-- director of ML at a drug company.