| Pharmaceutical strategies for endoplasmic reticulum-targeting and their prospects of application Y Shi, S Wang, J Wu, X Jin, J You Journal of controlled release 329, 337-352, 2021 | 58 | 2021 |
| MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction J Wu, Y Wan, Z Wu, S Zhang, D Cao, CY Hsieh, T Hou Acta Pharmaceutica Sinica B 13 (6), 2572-2584, 2023 | 14 | 2023 |
| Machine learning methods for pKa prediction of small molecules: Advances and challenges J Wu, Y Kang, P Pan, T Hou Drug Discovery Today 27 (12), 103372, 2022 | 14 | 2022 |
| Sample-efficient multi-objective molecular optimization with gflownets Y Zhu, J Wu, C Hu, J Yan, T Hou, J Wu Advances in Neural Information Processing Systems 36, 2024 | 6 | 2024 |
| ALipSol: an attention-driven mixture-of-experts model for lipophilicity and solubility prediction J Wu, J Wang, Z Wu, S Zhang, Y Deng, Y Kang, D Cao, CY Hsieh, T Hou Journal of Chemical Information and Modeling 62 (23), 5975-5987, 2022 | 6 | 2022 |
| Molhf: A hierarchical normalizing flow for molecular graph generation Y Zhu, Z Ouyang, B Liao, J Wu, Y Wu, CY Hsieh, T Hou, J Wu arXiv preprint arXiv:2305.08457, 2023 | 3 | 2023 |
