| FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction H Cai, H Zhang, D Zhao, J Wu, L Wang Briefings in bioinformatics 23 (6), bbac408, 2022 | 70 | 2022 |
| HiGNN: A hierarchical informative graph neural network for molecular property prediction equipped with feature-wise attention W Zhu, Y Zhang, D Zhao, J Xu, L Wang Journal of Chemical Information and Modeling 63 (1), 43-55, 2022 | 31 | 2022 |
| Machine learning enables accurate and rapid prediction of active molecules against breast cancer cells S He, D Zhao, Y Ling, H Cai, Y Cai, J Zhang, L Wang Frontiers in Pharmacology 12, 796534, 2021 | 24 | 2021 |
| DEEPCYPs: A deep learning platform for enhanced cytochrome P450 activity prediction D Ai, H Cai, J Wei, D Zhao, Y Chen, L Wang Frontiers in Pharmacology 14, 1099093, 2023 | 19 | 2023 |
| A multi-task FP-GNN framework enables accurate prediction of selective PARP inhibitors D Ai, J Wu, H Cai, D Zhao, Y Chen, J Wei, J Xu, J Zhang, L Wang Frontiers in Pharmacology 13, 971369, 2022 | 14 | 2022 |
| DeepCancerMap: a versatile deep learning platform for target-and cell-based anticancer drug discovery J Wu, Y Xiao, M Lin, H Cai, D Zhao, Y Li, H Luo, C Tang, L Wang European Journal of Medicinal Chemistry 255, 115401, 2023 | 13 | 2023 |
| VDDB: A comprehensive resource and machine learning tool for antiviral drug discovery S Tao, Y Chen, J Wu, D Zhao, H Cai, L Wang MedComm–Future Medicine 2 (1), e32, 2023 | 3 | 2023 |
| Large-scale comparison of machine learning methods for profiling prediction of kinase inhibitors J Wu, Y Chen, J Wu, D Zhao, J Huang, MJ Lin, L Wang Journal of Cheminformatics 16 (1), 13, 2024 | 2 | 2024 |
| Highly Accurate and Explainable Predictions of Small-Molecule Antioxidants for Eight In Vitro Assays Simultaneously through an Alternating Multitask Learning Strategy D Zhao, Y Zhang, Y Chen, B Li, W Zhou, L Wang Journal of Chemical Information and Modeling, 2024 | | 2024 |
| VDDB: a comprehensive resource and machine learning platform for antiviral drug discovery S Tao, Y Chen, J Wu, D Zhao, H Cai, L Wang arXiv preprint arXiv:2209.13521, 2022 | | 2022 |
