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2023-07-06T13:47:43+00:00 | 🔗

Inspired by the Digital Discovery paper from @RGBLabMIT, I wondered how close can you get to Erlotinib using Tanimoto similarity reward like in the paper. So we started with a 2000 compound sample of ZINC22 and used CrEM, C-C slicing, and GB-GA and ran it for 25 generations. https://t.co/ntkF3iUxdj

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