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Comment by danielmarkbruce

This is a largely agreed upon problem. What isn't clear is why it seems to get sidestepped in discussion so frequently. No one knows how a molecule will interact with human biology. It can't be simulated computationally to generate data (too slow), there isn't a lot of data in the grand scheme of things, so you can't train a model to actually predict the interaction of a molecule with a human.

And nothing I've said here is an original thought or piece of insight.

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