Deep retrosynthetic reaction prediction using local reactivity and global attention S Chen, Y Jung JACS Au 1 (10), 1612-1620, 2021 | 88 | 2021 |
A generalized-template-based graph neural network for accurate organic reactivity prediction S Chen, Y Jung Nature Machine Intelligence 4 (9), 772-780, 2022 | 23 | 2022 |
Explaining how deep neural networks forget by deep visualization G Nguyen, S Chen, TJ Jun, D Kim Pattern Recognition. ICPR International Workshops and Challenges: Virtual …, 2021 | 8 | 2021 |
Fabrication of highly transparent slippery surfaces with omniphobicity by an improved process using non-solvent-induced phase separation CC Chen, CJ Chen, SA Chen, WH Li, YM Yang Colloid and Polymer Science 296, 319-326, 2018 | 8 | 2018 |
Designing Novel Functional Peptides by Manipulating a Temperature in the Softmax Function Coupled with Variational Autoencoder S Chen, HU Kim 2019 IEEE International Conference on Big Data (Big Data), 6010-6012, 2019 | 3 | 2019 |
Precise atom-to-atom mapping for organic reactions via human-in-the-loop machine learning S Chen, S An, R Babazade, Y Jung Nature Communications 15 (1), 2250, 2024 | | 2024 |
Assessing the Extrapolation Capability of Template-Free Retrosynthesis Models S Chen, Y Jung arXiv preprint arXiv:2403.03960, 2024 | | 2024 |
Predicting synthesis recipes of inorganic crystal materials using elementwise template formulation S Kim, J Noh, GH Gu, S Chen, Y Jung Chemical Science, 2024 | | 2024 |
Automatic Generation of Mechanistic Pathways of Organic Reactions with Dual Templates S Chen, R Babazade, Y Jung AI for Accelerated Materials Design-NeurIPS 2023 Workshop, 2023 | | 2023 |
Learning single-step retrosynthesis with simulated reactions S Chen, Y Jung Workshop on''Machine Learning for Materials''ICLR 2023, 2023 | | 2023 |