CoTox: Chain-of-Thought-Based Molecular Toxicity Reasoning and Prediction

arXiv — cs.LGThursday, November 6, 2025 at 5:00:00 AM

CoTox: Chain-of-Thought-Based Molecular Toxicity Reasoning and Prediction

The recent development of CoTox, a chain-of-thought-based molecular toxicity reasoning and prediction model, marks a significant advancement in addressing drug toxicity challenges in pharmaceutical development. Unlike traditional machine learning models that struggle with interpretability and data reliance, CoTox leverages large language models to provide step-by-step reasoning, enhancing its ability to predict organ-specific toxicities. This innovation is crucial as it could lead to safer drug development processes and better patient outcomes.
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