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Jihye Roh
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Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
K Yu, J Roh, Z Li, W Gao, R Wang, CW Coley
arXiv preprint arXiv:2407.06334, 2024
12024
Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large‐Scale Mechanistic Dataset
JF Joung, MH Fong, J Roh, Z Tu, J Bradshaw, CW Coley
Angewandte Chemie International Edition, e202411296, 2024
2024
Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset
JF Joung, MH Fong, J Roh, Z Tu, J Bradshaw, CW Coley
arXiv preprint arXiv:2403.04580, 2024
2024
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