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A generalized-template-based graph neural network for accurate organic reactivity prediction Chen, Shuan; Jung, Yousung, NATURE MACHINE INTELLIGENCE, v.4, no.9, pp.772 - 780, 2022-09 |
Predicting potentially hazardous chemical reactions using an explainable neural network Kim, Juhwan; Gu, Geun Ho; Noh, Juhwan; Kim, Seongun; Gim, Suji; Choi, Jaesik; Jung, Yousung, CHEMICAL SCIENCE, v.12, no.33, pp.11028 - 11037, 2021-09 |
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