Woo Youn Kim
KAIST
91 Papers
202 Citations
Woo Youn Kim is an academic researcher from KAIST. The author has contributed to research in topics: Density functional theory & Chemistry. The author has an hindex of 30, co-authored 79 publications. Previous affiliations of Woo Youn Kim include Pohang University of Science and Technology.
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Papers
Scaffold-based molecular design with a graph generative model.
TL;DR: In this article, a graph generative model is proposed for scaffold-based molecular design, which can simultaneously control multiple chemical properties despite the search space constrained by fixing the substructure.
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification
TL;DR: It is shown that Bayesian inference enables more reliable prediction with quantitative uncertainty analysis and helps to improve the quality of prediction in deep neural networks.
Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices
TL;DR: This critical review provides an extensive survey of on-going research and its current status in molecular electronics with the focus on theoretical applications to diverse types of devices along with a brief introduction of theoretical methods and its practical implementation scheme.
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PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions.
TL;DR: A physics-informing strategy is proposed to predict the atom–atom pairwise interactions via physics-informed equations parameterized with neural networks and provides the total binding affinity of a protein–ligand complex as their sum.