| Graph neural networks for automated de novo drug design J Xiong, Z Xiong, K Chen, H Jiang, M Zheng Drug discovery today 26 (6), 1382-1393, 2021 | 129 | 2021 |
| Cyanine-based NIR fluorescent probe for monitoring H2S and imaging in living cells and in vivo J Xiong, L Xia, Q Huang, J Huang, Y Gu, P Wang Talanta 184, 109-114, 2018 | 64 | 2018 |
| An acetate-based NIR fluorescent probe for selectively imaging of hydrogen peroxide in living cells and in vivo J Xiong, L Xia, L Li, M Cui, Y Gu, P Wang Sensors and Actuators B: Chemical 288, 127-132, 2019 | 37 | 2019 |
| Multi-instance learning of graph neural networks for aqueous pKa prediction J Xiong, Z Li, G Wang, Z Fu, F Zhong, T Xu, X Liu, Z Huang, X Liu, K Chen, ... Bioinformatics 38 (3), 792-798, 2022 | 31 | 2022 |
| Structure-based virtual screening and identification of potential inhibitors of SARS-CoV-2 S-RBD and ACE2 interaction J Xiong, Y Xiang, Z Huang, X Liu, M Wang, G Ge, H Chen, J Xu, M Zheng, ... Frontiers in Chemistry 9, 740702, 2021 | 17 | 2021 |
| LogD7. 4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP Y Wang, J Xiong, F Xiao, W Zhang, K Cheng, J Rao, B Niu, X Tong, N Qu, ... Journal of Cheminformatics 15 (1), 76, 2023 | 6 | 2023 |
| MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules X Liu, W Zhang, X Tong, F Zhong, Z Li, Z Xiong, J Xiong, X Wu, Z Fu, ... Journal of Cheminformatics 15 (1), 42, 2023 | 5 | 2023 |
| Fine-Tuning ChatGPT Achieves State-of-the-Art Performance for Chemical Text Mining W Zhang, Q Wang, X Kong, J Xiong, S Ni, D Cao, B Niu, M Chen, R Zhang, ... | 1 | 2023 |
| αExtractor: a system for automatic extraction of chemical information from biomedical literature J Xiong, X Liu, Z Li, H Xiao, G Wang, Z Niu, C Fei, F Zhong, G Wang, ... Science China Life Sciences 67 (3), 618-621, 2024 | | 2024 |
| Fine-tuning Large Language Models for Chemical Text Mining W Zhang, Q Wang, X Kong, J Xiong, S Ni, D Cao, B Niu, M Chen, R Zhang, ... | | 2024 |
| Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application J Xiong, R Cui, Z Li, W Zhang, R Zhang, Z Fu, X Liu, Z Li, K Chen, ... Acta Pharmaceutica Sinica B 14 (2), 623-634, 2024 | | 2024 |
| FAPM: Functional Annotation of Proteins using Multi-Modal Models Beyond Structural Modeling W Xiang, Z Xiong, C Huan, J Xiong, W Zhang, Z Fu, M Zheng, B Liu, Q Shi bioRxiv, 2024.05. 07.593067, 2024 | | 2024 |
| PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking R Zhang, X Jiang, D Cao, J Yu, M Chen, Z Fan, X Kong, J Xiong, Z Zhang, ... bioRxiv, 2024.01. 31.578200, 2024 | | 2024 |
| Improve retrosynthesis planning with a molecular editing language J Xiong, W Zhang, Z Fu, J Huang, X Kong, Y Wang, Z Xiong, M Zheng | | 2023 |
