But all these things help you get to the expensive part more easily: testing safety and efficacy.
https://www.science.org/content/blog-post/big-problems
https://www.science.org/content/blog-post/ai-and-drug-discov...
https://www.science.org/content/blog-post/another-ai-generat...
Suffice to say, there are a lot of people always looking at this, and a lot of money being spent on it.
It's just hard.
https://www.bloomberg.com/news/articles/2021-02-05/out-of-gr...
on their careers page, under Software Engineers there is this listing:
> Developer, Force Fields
haha, yes, the scifi nerd dream job. :)
And developing software similar to: https://openforcefield.org/software/
A large part of the cost and complexity is the clinical trials, of which several stages of increasing complexity are required to get FDA approval. While it might seem inefficient, it's also the reason why vaccines work so well and have such small side effects - about half of Phase 3 candidates either fail the clinical trial or are rejected by the government for some other reason.
Each round of clinical trials requires significantly more money than the one before it, but it's also arguably easier to get investors on board in the later rounds as risk is lower. Smaller pharma companies often aim to get bought outright before their product is brought to market because it makes more sense for everyone involved.
Maybe someone will come up with an algorithm that lets us simulate clinical trials with sufficient precision, but that seems like a far-off sci fi fantasy to me.