5 citations · 9 across the 8 of their papers we have counts for
Showing 2019 · cs.LGShow all
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cs.LG2019
Scaffold-based molecular design using graph generative model
Jaechang Lim, Sang-Yeon Hwang, Seungsu Kim +2
Searching new molecules in areas like drug discovery often starts from the core structures of candidate molecules to optimize the properties of interest. The way as such has called…
cs.LG2019★ 5 cited
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks
Jaechang Lim, Seongok Ryu, Kyubyong Park +3
Accurate prediction of drug-target interaction (DTI) is essential for in silico drug design. For the purpose, we propose a novel approach for predicting DTI using a GNN that direct…