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ENTITY Chemical language models for de novo drug design: Challenges and opportunities

Chemical language models for de novo drug design: Challenges and opportunities

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  1. TOOL · CL_109939 ·

    Uncertainty-aware RL enhances chemical language models for drug design

    Researchers have developed novel methods to incorporate predictive uncertainty into reinforcement learning for chemical language models (CLMs). These approaches aim to improve the de novo design of molecules by guiding …