most citedInteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation

1 citations · 1 across the 1 of their papers we have counts for

collaborators

2 papers

q-bio.BM2020★ 1 cited

InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation

Hyeoncheol Cho, Eok Kyun Lee, Insung S. Choi

Expanding the scope of graph-based, deep-learning models to noncovalent protein-ligand interactions has earned increasing attention in structure-based drug design. Modeling the pro…

cs.LG2018

Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation

Hyeoncheol Cho, Insung S. Choi

We present a three-dimensional graph convolutional network (3DGCN), which predicts molecular properties and biochemical activities, based on 3D molecular graph. In the 3DGCN, graph…