| CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean C Lyu, T Chen, B Qiang, N Liu, H Wang, L Zhang, Z Liu Nucleic Acids Research 49 (D1), D509-D515, 2021 | 132 | 2021 |
| Target prediction model for natural products using transfer learning B Qiang, J Lai, H Jin, L Zhang, Z Liu International Journal of Molecular Sciences 22 (9), 4632, 2021 | 9 | 2021 |
| Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D B Qiang, Y Song, M Xu, J Gong, B Gao, H Zhou, WY Ma, Y Lan International Conference on Machine Learning, 28277-28299, 2023 | 8 | 2023 |
| Chemical space, scaffolds, and halogenated compounds of CMNPD: a comprehensive chemoinformatic analysis N Liu, J Lai, C Lyu, B Qiang, H Wang, H Jin, L Zhang, Z Liu Journal of Chemical Information and Modeling 61 (7), 3323-3336, 2021 | 6 | 2021 |
| DrugCLIP: Contrasive Protein-Molecule Representation Learning for Virtual Screening B Gao, B Qiang, H Tan, Y Jia, M Ren, M Lu, J Liu, WY Ma, Y Lan Advances in Neural Information Processing Systems 36, 2024 | 5 | 2024 |
| Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model B Qiang, Y Zhou, Y Ding, N Liu, S Song, L Zhang, B Huang, Z Liu Nature Machine Intelligence 5 (12), 1476-1485, 2023 | 1 | 2023 |
| Exploring Chemical Reaction Space with Machine Learning Models: Representation and Feature Perspective Y Ding, B Qiang, Q Chen, Y Liu, L Zhang, Z Liu Journal of Chemical Information and Modeling, 2024 | | 2024 |
| Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion B Gao, M Ren, Y Ni, Y Huang, B Qiang, ZM Ma, WY Ma, Y Lan arXiv preprint arXiv:2403.12987, 2024 | | 2024 |
| Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods M Ren, B Gao, B Qiang, Y Lan arXiv preprint arXiv:2311.12035, 2023 | | 2023 |
Bowen GaoTsinghua UniversityVerified email at air.tsinghua.edu.cn
