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March 28, 2025 article Open access

Transfer Learning-Enabled Ligand Prediction for Ni-Catalyzed Atroposelective Suzuki–Miyaura Cross-Coupling Based on Mechanistic Similarity: Leveraging Pd Knowledge for Ni Discovery

Journal of the American Chemical Society

DOI: 10.1021/jacs.5c00838 Full text (OA) OpenAlex

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References 2

Accelerated dinuclear palladium catalyst identification through unsupervised machine learning
2021 Science article Materials Science Machine Learning in Materials Science

176

citations
Machine Learning-Guided Development of Trialkylphosphine Ni (I) Dimers and Applications in Site-Selective Catalysis
2023 Journal of the American Chemical Society article Chemistry Catalytic Cross-Coupling Reactions

43

citations

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