| Deep learning enables accurate diagnosis of novel coronavirus (COVID-19) with CT images Y Song*, S Zheng*, L Li, X Zhang, X Zhang, Z Huang, J Chen, H Zhao, ... IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2021 | 1060 | 2021 |
| Predicting retrosynthetic reactions using self-corrected transformer neural networks S Zheng, J Rao, Z Zhang, J Xu, Y Yang Journal of chemical information and modeling 60 (1), 47-55, 2019 | 253 | 2019 |
| Predicting drug–protein interaction using quasi-visual question answering system S Zheng, Y Li, S Chen, J Xu, Y Yang Nature Machine Intelligence 2 (2), 134-140, 2020 | 248 | 2020 |
| Amelioration of Alzheimer’s disease pathology by mitophagy inducers identified via machine learning and a cross-species workflow C Xie, XX Zhuang, Z Niu, R Ai, S Lautrup, S Zheng, Y Jiang, R Han, ... Nature Biomedical Engineering 6 (1), 76-93, 2022 | 202 | 2022 |
| Communicative Representation Learning on Attributed Molecular Graphs Y Song*, S Zheng*, Z Niu, ZH Fu, Y Lu, Y Yang IJCAI (International Joint Conference on Artificial Intelligence), 2020 | 182 | 2020 |
| TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction W Lu, Q Wu, J Zhang, J Rao, C Li, S Zheng Advances in neural information processing systems (NeurIPS 2022 spotlight), 2022 | 177 | 2022 |
| Hybrid contrastive learning of tri-modal representation for multimodal sentiment analysis S Mai, Y Zeng, S Zheng, H Hu IEEE Transactions on Affective Computing 14 (3), 2276-2289, 2022 | 167 | 2022 |
| PharmKG: a dedicated knowledge graph benchmark for biomedical data mining S Zheng, J Rao, Y Song, J Zhang, X Xiao, EF Fang, Y Yang, Z Niu Briefings in bioinformatics 22 (4), bbaa344, 2021 | 139 | 2021 |
| RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist C Yan, Q Ding, P Zhao, S Zheng, J Yang, Y Yu, J Huang NeurIPS 2020 (Spotlight), 2020 | 126 | 2020 |
| Identifying structure–property relationships through SMILES syntax analysis with self-attention mechanism S Zheng, X Yan, Y Yang, J Xu Journal of chemical information and modeling 59 (2), 914-923, 2019 | 119 | 2019 |
| Communicative Message Passing for Inductive Relation Reasoning S Mai*, S Zheng*, Y Yang, H Hu AAAI Conference on the Artificial Intelligence 35 (5), 4294-4302, 2020 | 106 | 2020 |
| SyntaLinker: automatic fragment linking with deep conditional transformer neural networks Y Yang*, S Zheng*, S Su, C Zhao, J Xu, H Chen Chemical Science 11 (31), 8312-8322, 2020 | 104 | 2020 |
| Structure-aware Protein Solubility Prediction From Sequence Through Graph Convolutional Network And Predicted Contact Map J Chen*, S Zheng*, H Zhao, Y Yang Journal of cheminformatics 13 (1), 1-10, 2020 | 101 | 2020 |
| AlphaFold2-aware protein–DNA binding site prediction using graph transformer Q Yuan, S Chen, J Rao, S Zheng, H Zhao, Y Yang Briefings in Bioinformatics 23 (2), bbab564, 2022 | 88 | 2022 |
| Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NP S Zheng, T Zeng, C Li, B Chen, CW Coley, Y Yang, R Wu Nature Communications 13 (1), 3342, 2022 | 82 | 2022 |
| Accelerated rational PROTAC design via deep learning and molecular simulations S Zheng, Y Tan, Z Wang, C Li, Z Zhang, X Sang, H Chen, Y Yang Nature Machine Intelligence 4 (9), 739-748, 2022 | 75 | 2022 |
| QBMG: quasi-biogenic molecule generator with deep recurrent neural network S Zheng, X Yan, Q Gu, Y Yang, Y Du, Y Lu, J Xu Journal of cheminformatics 11, 1-12, 2019 | 70 | 2019 |
| DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model W Lu, J Zhang, W Huang, Z Zhang, X Jia, Z Wang, L Shi, C Li, ... Nature Communications 15 (1), 1071, 2024 | 59 | 2024 |
| Quantitative evaluation of explainable graph neural networks for molecular property prediction J Rao, S Zheng, Y Lu, Y Yang Patterns 3 (12), 2022 | 55 | 2022 |
| Structure-aware multimodal deep learning for drug–protein interaction prediction P Wang, S Zheng, Y Jiang, C Li, J Liu, C Wen, A Patronov, D Qian, ... Journal of chemical information and modeling 62 (5), 1308-1317, 2022 | 54 | 2022 |
Yuedong YangSchool of Computer Science and Engineering, Sun Yat-sen UniversityVerifierad e-postadress på mail.sysu.edu.cn