| 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 |
| Performance of ACE-reaction on 26 organic reactions for fully automated reaction network construction and microkinetic analysis JW Kim, Y Kim, KY Baek, K Lee, WY Kim The Journal of Physical Chemistry A 123 (22), 4796-4805, 2019 | 13 | 2019 |
| Efficient construction of a chemical reaction network guided by a Monte Carlo tree search K Lee, J Woo Kim, W Youn Kim ChemSystemsChem 2 (5), e1900057, 2020 | 9 | 2020 |
| DFRscore: deep learning-based scoring of synthetic complexity with drug-focused retrosynthetic analysis for high-throughput virtual screening H Kim, K Lee, C Kim, J Lim, WY Kim Journal of Chemical Information and Modeling 64 (7), 2432-2444, 2023 | 7 | 2023 |
| pyMCD: Python package for searching transition states via the multicoordinate driven method K Lee, JH Kim, WY Kim Computer Physics Communications 291, 108831, 2023 | 2 | 2023 |
| Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery H Kim, K Lee, JH Kim, WY Kim Journal of Chemical Information and Modeling 64 (3), 677-689, 2024 | 1 | 2024 |
