Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks

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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