Segueix
Dingyan Wang
Dingyan Wang
Lingang Laboratory
Correu electrònic verificat a lglab.ac.cn
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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
8342019
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
3792020
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
1302022
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
662019
Machine-learning-guided cocrystal prediction based on large data base
D Wang, Z Yang, B Zhu, X Mei, X Luo
Crystal Growth & Design 20 (10), 6610-6621, 2020
602020
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
572021
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
502019
Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug–drug links based on graph neural network
C Cui, X Ding, D Wang, L Chen, F Xiao, T Xu, M Zheng, X Luo, H Jiang, ...
Bioinformatics 37 (18), 2930-2937, 2021
392021
Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction
Z Fu, X Li, Z Wang, Z Li, X Liu, X Wu, J Zhao, X Ding, X Wan, F Zhong, ...
Organic chemistry frontiers 7 (16), 2269-2277, 2020
392020
Uncertainty quantification: Can we trust artificial intelligence in drug discovery?
J Yu, D Wang, M Zheng
Iscience 25 (8), 2022
292022
Drug target inference by mining transcriptional data using a novel graph convolutional network framework
F Zhong, X Wu, R Yang, X Li, D Wang, Z Fu, X Liu, XZ Wan, T Yang, Z Fan, ...
Protein & cell 13 (4), 281-301, 2022
292022
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling
D Wang, J Yu, L Chen, X Li, H Jiang, K Chen, M Zheng, X Luo
Journal of cheminformatics 13, 1-17, 2021
292021
Blood–brain barrier penetration prediction enhanced by uncertainty estimation
X Tong, D Wang, X Ding, X Tan, Q Ren, G Chen, Y Rong, T Xu, J Huang, ...
Journal of Cheminformatics 14 (1), 44, 2022
282022
Learning protein fitness landscapes with deep mutational scanning data from multiple sources
L Chen, Z Zhang, Z Li, R Li, R Huo, L Chen, D Wang, X Luo, K Chen, ...
Cell Systems 14 (8), 706-721. e5, 2023
242023
Active learning for drug design: a case study on the plasma exposure of orally administered drugs
X Ding, R Cui, J Yu, T Liu, T Zhu, D Wang, J Chang, Z Fan, X Liu, K Chen, ...
Journal of Medicinal Chemistry 64 (22), 16838-16853, 2021
212021
An inductive graph neural network model for compound–protein interaction prediction based on a homogeneous graph
X Wan, X Wu, D Wang, X Tan, X Liu, Z Fu, H Jiang, M Zheng, X Li
Briefings in Bioinformatics 23 (3), bbac073, 2022
192022
Computing the relative binding affinity of ligands based on a pairwise binding comparison network
J Yu, Z Li, G Chen, X Kong, J Hu, D Wang, D Cao, Y Li, R Huo, G Wang, ...
Nature Computational Science 3 (10), 860-872, 2023
162023
Cocrystal prediction of bexarotene by graph convolution network and bioavailability improvement
F Xiao, Y Cheng, JR Wang, D Wang, Y Zhang, K Chen, X Mei, X Luo
Pharmaceutics 14 (10), 2198, 2022
142022
Discovery of cyclic peptidomimetic ligands targeting the extracellular domain of EGFR
M Zheng, C Li, M Zhou, R Jia, G Cai, F She, L Wei, S Wang, J Yu, D Wang, ...
Journal of Medicinal Chemistry 64 (15), 11219-11228, 2021
142021
Highly accurate carbohydrate-binding site prediction with DeepGlycanSite
X He, L Zhao, Y Tian, R Li, Q Chu, Z Gu, M Zheng, Y Wang, S Li, H Jiang, ...
Nature Communications 15 (1), 5163, 2024
112024
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
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