| Pushing the boundaries of molecular representation for drug discovery with the graph attention mechanism Z Xiong, D Wang, X Liu, F Zhong, X Wan, X Li, Z Li, X Luo, K Chen, ... Journal of medicinal chemistry 63 (16), 8749-8760, 2019 | 582 | 2019 |
| In silico ADME/T modelling for rational drug design Y Wang, J Xing, Y Xu, N Zhou, J Peng, Z Xiong, X Liu, X Luo, C Luo, ... Quarterly reviews of biophysics 48 (4), 488-515, 2015 | 316 | 2015 |
| Preclinical characterization of anlotinib, a highly potent and selective vascular endothelial growth factor receptor‐2 inhibitor C Xie, X Wan, H Quan, M Zheng, L Fu, Y Li, L Lou Cancer science 109 (4), 1207-1219, 2018 | 283 | 2018 |
| TransformerCPI: improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments L Chen, X Tan, D Wang, F Zhong, X Liu, T Yang, X Luo, K Chen, H Jiang, ... Bioinformatics 36 (16), 4406-4414, 2020 | 237 | 2020 |
| Artificial intelligence in drug design F Zhong, J Xing, X Li, X Liu, Z Fu, Z Xiong, D Lu, X Wu, J Zhao, X Tan, F Li, ... Science China Life Sciences 61, 1191-1204, 2018 | 188 | 2018 |
| Syntheses of triazole-modified zanamivir analogues via click chemistry and anti-AIV activities J Li, M Zheng, W Tang, PL He, W Zhu, T Li, JP Zuo, H Liu, H Jiang Bioorganic & medicinal chemistry letters 16 (19), 5009-5013, 2006 | 156 | 2006 |
| Optimization of metabolomic data processing using NOREVA J Fu, Y Zhang, Y Wang, H Zhang, J Liu, J Tang, Q Yang, H Sun, W Qiu, ... Nature protocols 17 (1), 129-151, 2022 | 129 | 2022 |
| 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 | 122 | 2021 |
| Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening S Chen, Y Wang, W Zhou, S Li, J Peng, Z Shi, J Hu, YC Liu, H Ding, Y Lin, ... Journal of Medicnal Chemistry 57 (21), 9028–9041, 2014 | 117 | 2014 |
| Regulating glucose metabolism with prodrug nanoparticles for promoting photoimmunotherapy of pancreatic cancer F Sun, Q Zhu, T Li, M Saeed, Z Xu, F Zhong, R Song, M Huai, M Zheng, ... Advanced Science 8 (4), 2002746, 2021 | 115 | 2021 |
| Astemizole arrests the proliferation of cancer cells by disrupting the EZH2-EED interaction of polycomb repressive complex 2 X Kong, L Chen, L Jiao, X Jiang, F Lian, J Lu, K Zhu, D Du, J Liu, H Ding, ... Journal of medicinal chemistry 57 (22), 9512-9521, 2014 | 111 | 2014 |
| Aspirin inhibits cancer metastasis and angiogenesis via targeting heparanase X Dai, J Yan, X Fu, Q Pan, D Sun, Y Xu, J Wang, L Nie, L Tong, A Shen, ... Clinical Cancer Research 23 (20), 6267-6278, 2017 | 106 | 2017 |
| Generative models for de novo drug design X Tong, X Liu, X Tan, X Li, J Jiang, Z Xiong, T Xu, H Jiang, N Qiao, ... Journal of Medicinal Chemistry 64 (19), 14011-14027, 2021 | 103 | 2021 |
| Discovery of highly potent, selective, and orally efficacious p300/CBP histone acetyltransferases inhibitors Y Yang, R Zhang, Z Li, L Mei, S Wan, H Ding, Z Chen, J Xing, H Feng, ... Journal of medicinal chemistry 63 (3), 1337-1360, 2020 | 96 | 2020 |
| Computational methods for drug design and discovery: focus on China M Zheng, X Liu, Y Xu, H Li, C Luo, H Jiang Trends in pharmacological sciences 34 (10), 549-559, 2013 | 96 | 2013 |
| Site of metabolism prediction for six biotransformations mediated by cytochromes P450 M Zheng, X Luo, Q Shen, Y Wang, Y Du, W Zhu, H Jiang Bioinformatics 25 (10), 1251-1258, 2009 | 92 | 2009 |
| Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score G Chen, S Zheng, X Luo, J Shen, W Zhu, H Liu, C Gui, J Zhang, M Zheng, ... Journal of combinatorial chemistry 7 (3), 398-406, 2005 | 90 | 2005 |
| Identification of drug-drug interactions using chemical interactions L Chen, C Chu, YH Zhang, M Zheng, LC Zhu, X Kong, T Huang Current Bioinformatics 12 (6), 526-534, 2017 | 84 | 2017 |
| Analysis and prediction of drug–drug interaction by minimum redundancy maximum relevance and incremental feature selection L Liu, L Chen, YH Zhang, L Wei, S Cheng, X Kong, M Zheng, T Huang, ... Journal of Biomolecular Structure and Dynamics 35 (2), 312-329, 2017 | 82 | 2017 |
| Graph neural network approaches for drug-target interactions Z Zhang, L Chen, F Zhong, D Wang, J Jiang, S Zhang, H Jiang, M Zheng, ... Current Opinion in Structural Biology 73, 102327, 2022 | 81 | 2022 |
Zhaoping XiongShanghaiTech UniversityVerified email at shanghaitech.edu.cn
