| Spatiotemporal pattern of greenhouse gas emissions in China’s wastewater sector and pathways towards carbon neutrality WJ Du, JY Lu, YR Hu, J Xiao, C Yang, J Wu, B Huang, S Cui, Y Wang, ... Nature Water 1 (2), 166-175, 2023 | 85 | 2023 |
| Deciphering urban traffic impacts on air quality by deep learning and emission inventory W Du, L Chen, H Wang, Z Shan, Z Zhou, W Li, Y Wang Journal of environmental sciences 124, 745-757, 2023 | 40 | 2023 |
| Chemistry-informed molecular graph as reaction descriptor for machine-learned retrosynthesis planning B Zhang, X Zhang, W Du, Z Song, G Zhang, G Zhang, Y Wang, X Chen, ... Proceedings of the National Academy of Sciences 119 (41), e2212711119, 2022 | 23 | 2022 |
| Source identification and prediction of nitrogen and phosphorus pollution of Lake Taihu by an ensemble machine learning technique Y Hu, W Du, C Yang, Y Wang, T Huang, X Xu, W Li Frontiers of Environmental Science & Engineering 17 (5), 55, 2023 | 18 | 2023 |
| Moltc: Towards molecular relational modeling in language models J Fang, S Zhang, C Wu, Z Yang, Z Liu, S Li, K Wang, W Du, X Wang arXiv preprint arXiv:2402.03781, 2024 | 16 | 2024 |
| Inverse design of chiral functional films by a robotic AI-guided system Y Xie, S Feng, L Deng, A Cai, L Gan, Z Jiang, P Yang, G Ye, Z Liu, L Wen, ... Nature Communications 14 (1), 6177, 2023 | 13 | 2023 |
| On regularization for explaining graph neural networks: An information theory perspective J Fang, G Zhang, K Wang, W Du, Y Duan, Y Wu, R Zimmermann, X Chu, ... IEEE Transactions on Knowledge and Data Engineering, 2024 | 10 | 2024 |
| Fusing 2D and 3D molecular graphs as unambiguous molecular descriptors for conformational and chiral stereoisomers W Du, X Yang, D Wu, FF Ma, B Zhang, C Bao, Y Huo, J Jiang, X Chen, ... Briefings in Bioinformatics 24 (1), bbac560, 2023 | 9 | 2023 |
| SMG-BERT: integrating stereoscopic information and chemical representation for molecular property prediction J Zhang, W Du, X Yang, D Wu, J Li, K Wang, Y Wang Frontiers in Molecular Biosciences 10, 1216765, 2023 | 4 | 2023 |
| Adanovo: Adaptive\emph {De Novo} peptide sequencing with conditional mutual information J Xia, S Chen, J Zhou, T Ling, W Du, S Liu, SZ Li arXiv preprint arXiv:2403.07013, 2024 | 3 | 2024 |
| NovoBench: Benchmarking Deep Learning-based De Novo Peptide Sequencing Methods in Proteomics J Zhou, S Chen, J Xia, S Liu, T Ling, W Du, Y Liu, J Yin, SZ Li arXiv preprint arXiv:2406.11906, 2024 | 2 | 2024 |
| Spectroscopy-Guided Deep Learning Predicts Solid–Liquid Surface Adsorbate Properties in Unseen Solvents W Du, F Ma, B Zhang, J Zhang, D Wu, E Sharman, J Jiang, Y Wang Journal of the American Chemical Society 146 (1), 811-823, 2023 | 2 | 2023 |
| FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning S Liu, J Xia, L Zhang, Y Liu, Y Liu, W Du, Z Gao, B Hu, C Tan, H Xiang, ... arXiv preprint arXiv:2410.15010, 2024 | 1 | 2024 |
| MMGNN: A Molecular Merged Graph Neural Network for Explainable Solvation Free Energy Prediction W Du, S Zhang, JX Di Wu, Z Zhao, J Fang, Y Wang Proceedings of the Thirty-Third International Joint Conference on Artificial …, 2024 | 1 | 2024 |
| CIMG-BERT: Pretraining Bidirectional Transformers with Chemistry Knowledge for Molecular Property Prediction X Meng, B Wu, Y Liang, C Gu, W Du, X Chen 2022 2nd International Conference on Electronic Information Technology and …, 2022 | 1 | 2022 |
| Correlation between Nitrogen Pollution and WWTPs Discharge in Lake Taihu Z Shan, W Du 2021 3rd International Conference on Advances in Computer Technology …, 2021 | 1 | 2021 |
| Text-guided small molecule generation via diffusion model Y Luo, J Fang, S Li, Z Liu, J Wu, A Zhang, W Du, X Wang iScience 27 (11), 2024 | | 2024 |
| Inverse design of chiral functional film by a robotic AI-Chemist G Zou, Y Xie, S Feng, LX Deng, A Cai, L Gan, Z Jiang, P Yang, G Ye, Z Liu, ... | | 2023 |
| Bond Energy Assists Accurate Molecule Property Prediction X Yang, W Du Journal of Physics: Conference Series 2356 (1), 012047, 2022 | | 2022 |
| NovoBench: Benchmarking Deep Learning-based\emph {De Novo} Sequencing Methods in Proteomics J Zhou, S Chen, J Xia, S Liu, T Ling, W Du, Y Liu, J Yin, SZ Li The Thirty-eight Conference on Neural Information Processing Systems …, 0 | | |
