Multiparameter Compound Optimization with LLMs

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Yesterday, an interesting paper was released by Prescient Design (Genentech), “Evaluating the Progression of Large Language Model Capabilities for Small-Molecule Drug Design.” The authors formulate a variety of problems in small-molecule drug design as reinforcement-learning (RL) problems and use RL-based post-training to improve the performance of a 30B-parameter Qwen model (specifically,…

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