Drug-likeness scoring based on unsupervised learning K Lee*, J Jang*, S Seo*, J Lim, WY Kim Chemical Science 13 (2), 554-565, 2022 | 41 | 2022 |
Molecular generative model via retrosynthetically prepared chemical building block assembly S Seo, J Lim, WY Kim Advanced Science 10 (8), 2206674, 2023 | 26 | 2023 |
TacoGFN: Target Conditioned GFlowNet for Structure-Based Drug Design T Shen, S Seo, G Lee, M Pandey, JR Smith, A Cherkasov, WY Kim, ... Transactions on Machine Learning Research (TMLR), 2024 | 11* | 2024 |
PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening S Seo, WY Kim Chemical Science 15 (46), 19473-19487, 2024 | 5* | 2024 |
Generative Flows on Synthetic Pathway for Drug Design S Seo, M Kim, T Shen, M Ester, J Park, S Ahn, WY Kim International Conference on Learning Representations (ICLR), 2025 | 3 | 2025 |