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Product Prediction

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Organic Chemistry

Data-Efficient, Chemistry-Aware Machine Learning Predictions of Diels–Alder Reaction Outcomes

Angus Keto, Taicheng Guo, Morgan Underdue, Thijs Stuyver, Connor Coley, Xiangliang Zhang, Elizabeth Krenske, Olaf Wiest

Version 1 posted 06 March 2024

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