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From Words to Molecules: A Survey of Large Language Models in Chemistry
After that, we explore the diverse applications of LLMs in chemistry, including novel paradigms for their application in chemistry tasks.
RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction
Machine learning-assisted retrosynthesis prediction models have been gaining widespread adoption, though their performances oftentimes degrade significantly when deployed in real-world applications embracing out-of-distribution (OOD) molecules or reactions.
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