AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning

Nov-13-2025, 12:23:22 GMT–Neural Information Processing Systems

These models often struggle to predict balanced reactions and lack crucial information regarding intermediate byproducts. Moreover, they fall short in offering explanations regarding the underlying chemistry responsible for the predicted products.

artificial intelligence, machine learning, natural language, (22 more...)

Neural Information Processing Systems

Nov-13-2025, 12:23:22 GMT

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