https://patwalters.github.io/Response-to-Peter-Kenny/
> (4a) revert to traditional methods but keep the veneer of using ML to save face
I haven't worked in the industry side of things but in academia everyone kind of agrees that gradient boosting trees are some of the best models to do these things.
What hasn’t changed is finding ones that are manufacturable/synthesizable.
Even if you find 1 million new stable molecules, there no guarantee that even one of them is manufacturable.
You can do more tests on smaller things, like checking if some protein will kill some cells of a pest, but making sure a plant produces it enough that it actually does something significant to the real, live pests, that it's not toxic, and it doesn't harm the plant's yield massively (as it's now spending time producing your pesticide) is still going to take years. We might be able to fold proteins, but the kind of things we'd need to really simulate plant biology well enough to not need years of failures are still very far away.
And it's far worse in medicine, as with plants at least nobody has ethical concerns if they fail and die, and nobody needs to get consent from a corn seed. Getting to 50 actual data points from many medical studies is already a lot of effort. And imagine when it's a long term study, and you need to follow patients for 30 years, as theym move, or die, or decide to stop participating, or who knows what.
Thus the reticence of science-oriented companies to invest heavily in these mass data-gathering exercises to feed ML. It’s damn expensive, and almost always leads you back to raw data issues, not breakthrough discovery. Doing it without a set purpose in mind is even more likely to yield garbage.