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Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks Lim, Jaechang; Ryu, Seongok; Park, Kyubyong; Choe, Yo Joong; Ham, Jiyeon; Kim, Woo Youn, The 5 th International Conference on Molecular Simulation, The Korean Institute of Metals and Materials, The Korea Institute of Science and Technology, Korea Advanced Institute of Science and Technology - ACE Team, Seoul National University, 2019-11-05 |
Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation Lim, Jaechang; Ryu, Seongok; Park, Kyubyong; Choe, Yo Joong; Ham, Jiyeon; Kim, Woo Youn, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.59, no.9, pp.3981 - 3988, 2019-09 |
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