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Zhaoping Xiong
Zhaoping Xiong
其他姓名熊昭平
ProtonUnfold Inc.
在 protonunfold.com 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
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
6192019
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
3212015
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
1982018
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
1422021
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
1142021
Deep learning enhancing kinome-wide polypharmacology profiling: model construction and experiment validation
X Li, Z Li, X Wu, Z Xiong, T Yang, Z Fu, X Liu, X Tan, F Zhong, X Wan, ...
Journal of medicinal chemistry 63 (16), 8723-8737, 2019
652019
Improving the virtual screening ability of target-specific scoring functions using deep learning methods
D Wang, C Cui, X Ding, Z Xiong, M Zheng, X Luo, H Jiang, K Chen
Frontiers in pharmacology 10, 924, 2019
432019
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
Z Li, X Li, X Liu, Z Fu, Z Xiong, X Wu, X Tan, J Zhao, F Zhong, X Wan, ...
Bioinformatics 35 (24), 5354-5356, 2019
382019
Automated design and optimization of multitarget schizophrenia drug candidates by deep learning
X Tan, X Jiang, Y He, F Zhong, X Li, Z Xiong, Z Li, X Liu, C Cui, Q Zhao, ...
European Journal of Medicinal Chemistry 204, 112572, 2020
302020
Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the …
Y Wang, Y Dai, X Wu, F Li, B Liu, C Li, Q Liu, Y Zhou, B Wang, M Zhu, ...
Journal of Medicinal Chemistry 62 (16), 7473-7488, 2019
282019
Facing small and biased data dilemma in drug discovery with federated learning
Z Xiong, Z Cheng, C Xu, X Lin, X Liu, D Wang, X Luo, Y Zhang, N Qiao, ...
BioRxiv, 2020.03. 19.998898, 2020
202020
Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches
Z Xiong, Z Cheng, X Lin, C Xu, X Liu, D Wang, X Luo, Y Zhang, H Jiang, ...
Science China Life Sciences, 1-11, 2021
192021
PanGu Drug Model: learn a molecule like a human
X Lin, C Xu, Z Xiong, X Zhang, N Ni, B Ni, J Chang, R Pan, Z Wang, F Yu, ...
Biorxiv, 2022.03. 31.485886, 2022
142022
Crowdsourced identification of multi-target kinase inhibitors for RET-and TAU-based disease: The Multi-Targeting Drug DREAM Challenge
Z Xiong, M Jeon, RJ Allaway, J Kang, D Park, J Lee, H Jeon, M Ko, ...
PLoS computational biology 17 (9), e1009302, 2021
92021
Construction of a deep neural network energy function for protein physics
H Yang, Z Xiong, F Zonta
Journal of Chemical Theory and Computation 18 (9), 5649-5658, 2022
8*2022
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
72023
HTE and machine learning-assisted development of iridium (I)-catalyzed selective O–H bond insertion reactions toward carboxymethyl ketones
Y Xu, F Ren, L Su, Z Xiong, X Zhu, X Lin, N Qiao, H Tian, C Tian, K Liao
Organic Chemistry Frontiers 10 (5), 1153-1159, 2023
62023
Enhanced sampling simulations on transition-metal-catalyzed organic reactions: Zirconocene-catalyzed propylene polymerization and Sharpless epoxidation
X Han, TY Sun, YI Yang, J Zhang, J Qiu, Z Xiong, N Qiao, YD Wu, YQ Gao
CCS Chemistry 6 (4), 964-975, 2024
22024
Fine-tuning Large Language Models for Chemical Text Mining
M Zheng, W Zhang, Q Wang, X Kong, J Xiong, S Ni, D Cao, B Niu, ...
Chemical Science, 2024
1*2024
Q-Drug: a Framework to bring Drug Design into Quantum Space using Deep Learning
Z Xiong, X Cui, X Lin, F Ren, B Liu, Y Li, M Yung, N Qiao
arXiv preprint arXiv:2308.13171, 2023
12023
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