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Results 1-10 of 16 (Search time: 0.006 seconds).
| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| Scaffold-based molecular design using a graph generative model Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; Kim, Seungsu; Kim, Woo Youn, 10th Triennial Congress of the International Society for Theoretical Chemical Physics, UiT The Arctic University of Norway, 2019-07-15 | |
| 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 | |
| Efficient construction of chemical reaction network through Monte Carlo Tree Search Lee, Kyunghoon; Kim, Jin Woo; 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, 2019-11-04 | |
| Bayesian's eye on molecular science: Bayesian deep optimization of Onsager-Machlup action learning for uncertainty quantification and active learning of molecular properties Ryu, Seongok; Kwon, Yongchan; Hwang, Sang-Yeon; 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, 2019-11-04 | |
| Nonempirically tuned range-separated hybrid with Gaussian attenuated kernel and local exact exchange for optical spectra of transition metal complexes Kang, Sungwoo; Kim, Jaewook; 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, 2019-11-04 | |
| Efficient Reaction Prediction Method (ACE-Reaction) with Fully Automated Network Construction and its Performance on Named-Organic Reactions Kim, Jin Woo; Lee, Kyunghoon; 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, 2019-11-04 | |
| Fast hybrid density functional calculations in real-space numerical grid methods Kim, Jaewook; Kang, Sungwoo; 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, 2019-11-04 | |
| Metallocene catalyst design for olefin polymerization using genetic algorithm Kim, Hyeonsu; 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, 2019-11-04 | |
| Implement periodic boundary condition in ACE-Molecule Woo, Jeheon; 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, 2019-11-04 | |
| An Automated TS Search: Application on ACE-Reaction Kim, Hyeongwoo; 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, 2019-11-04 |
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