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Chemical language models for de novo drug design: Challenges and opportunities
Chemical language models for de novo drug design: Challenges and opportunities
PulseAugur coverage of Chemical language models for de novo drug design: Challenges and opportunities — every cluster mentioning Chemical language models for de novo drug design: Challenges and opportunities across labs, papers, and developer communities, ranked by signal.
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New research highlights critical failure in AI-driven drug discovery reliability
Researchers have identified a significant issue with marginal conformal prediction, a method used in drug discovery to quantify model reliability. The study reveals that on imbalanced datasets, this method fails to prov…
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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 …