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It's gotten better. The future looks like generative or screening models that feed structures to ADMET/retrosynthesis models which close a feedback loop by penalizing/rewarding the first-pass models. Then there's machine-human pair design flows that are really promising, basically ChemDraw with the aforementioned models providing real-time feedback and suggestions. It wouldn't surprise me if in a decade you could seed generative models with natural language, receive a few structures, alter them in a GUI with feedback, and then publish a retrosynthetic proposal + ADMET estimations with the candidate structure.

With high-throughput screening and automation, even small/medium-sized players can start building internal databanks for multi-objective models.




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