Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks - researchr publication

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Shoichi Ishida, Kei Terayama, Ryosuke Kojima, Kiyosei Takasu, Yasushi Okuno. Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks. Journal of Chemical Information and Computer Sciences, 59(12):5026-5033, 2019. [doi]

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