| Deep-learning-based inverse design model for intelligent discovery of organic molecules K Kim, S Kang, J Yoo, Y Kwon, Y Nam, D Lee, I Kim, YS Choi, Y Jung, ... npj Computational Materials 4 (1), 67, 2018 | 99 | 2018 |
| Valid, plausible, and diverse retrosynthesis using tied two-way transformers with latent variables E Kim, D Lee, Y Kwon, MS Park, YS Choi Journal of Chemical Information and Modeling 61 (1), 123-133, 2021 | 51 | 2021 |
| Neural message passing for NMR chemical shift prediction Y Kwon, D Lee, YS Choi, M Kang, S Kang Journal of chemical information and modeling 60 (4), 2024-2030, 2020 | 45 | 2020 |
| Evolutionary design of molecules based on deep learning and a genetic algorithm Y Kwon, S Kang, YS Choi, I Kim Scientific reports 11 (1), 17304, 2021 | 36 | 2021 |
| Uncertainty-aware prediction of chemical reaction yields with graph neural networks Y Kwon, D Lee, YS Choi, S Kang Journal of Cheminformatics 14, 1-10, 2022 | 34 | 2022 |
| Compressed graph representation for scalable molecular graph generation Y Kwon, D Lee, YS Choi, K Shin, S Kang Journal of Cheminformatics 12, 1-8, 2020 | 22 | 2020 |
| Predictive modeling of NMR chemical shifts without using atomic-level annotations S Kang, Y Kwon, D Lee, YS Choi Journal of Chemical Information and Modeling 60 (8), 3765-3769, 2020 | 21 | 2020 |
| Organic light-emitting device and compound M Numata, J Soonok, H Miyazaki, S Lee, SIM Myungsun, IHN Sooghang, ... US Patent App. 15/840,491, 2018 | 9 | 2018 |
| Method and apparatus for new material discovery using machine learning on targeted physical property J Yoo, K Seokho, K Youngchun, S Jaikwang, LEE Hyosug, Y Choi US Patent 10,957,419, 2021 | 8 | 2021 |
| Generative modeling to predict multiple suitable conditions for chemical reactions Y Kwon, S Kim, YS Choi, S Kang Journal of Chemical Information and Modeling 62 (23), 5952-5960, 2022 | 7 | 2022 |
| Scalable graph neural network for NMR chemical shift prediction J Han, H Kang, S Kang, Y Kwon, D Lee, YS Choi Physical Chemistry Chemical Physics 24 (43), 26870-26878, 2022 | 7 | 2022 |
| Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule Y Kwon, D Lee, YS Choi, S Kang Scientific Reports 11 (1), 20998, 2021 | 7 | 2021 |
| Method and device for searching new material J Yoo, K Youngchun, KIM Kyungdoc, S Jaikwang, LEE Hyosug, Y Choi US Patent 11,017,314, 2021 | 6 | 2021 |
| AI-driven robotic chemist for autonomous synthesis of organic molecules T Ha, D Lee, Y Kwon, MS Park, S Lee, J Jang, B Choi, H Jeon, J Kim, ... Science advances 9 (44), eadj0461, 2023 | 5 | 2023 |
| Exploring optimal reaction conditions guided by graph neural networks and Bayesian optimization Y Kwon, D Lee, JW Kim, YS Choi, S Kim ACS omega 7 (49), 44939-44950, 2022 | 4 | 2022 |
| A CUDA-based implementation of OpenGL-compatible rasterization library prototype YC Kwon, N Baek Proceedings of the 29th Annual ACM Symposium on Applied Computing, 1747-1748, 2014 | 4 | 2014 |
| A parallelized implementation for H. 264 real-time encoding scheme YC Kwon, C Park, D Oh, WS Jang, N Baek International Journal of Control and Automation 7 (6), 379-388, 2014 | 3 | 2014 |
| Method and device for searching new material J Yoo, K Youngchun, KIM Kyungdoc, S Jaikwang, LEE Hyosug, Y Choi US Patent App. 17/238,460, 2021 | 2 | 2021 |
| Efficient learning of non-autoregressive graph variational autoencoders for molecular graph generation Y Kwon, J Yoo, Y Choi Journal of Cheminformatics 11 (70), 2019 | 2* | 2019 |
| An automated astronomical observation system YC Kwon, J Jeong, Y Kim, N Baek International Journal of Control and Automation 6 (1), 191-200, 2013 | 2 | 2013 |
