RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions X Wang, Y Li, J Qiu, G Chen, H Liu, B Liao, CY Hsieh, X Yao Chemical Engineering Journal 420, 129845, 2021 | 90 | 2021 |
TrimNet: learning molecular representation from triplet messages for biomedicine P Li, Y Li, CY Hsieh, S Zhang, X Liu, H Liu, S Song, X Yao Briefings in Bioinformatics 22 (4), bbaa266, 2021 | 62 | 2021 |
An adaptive graph learning method for automated molecular interactions and properties predictions Y Li, CY Hsieh, R Lu, X Gong, X Wang, P Li, S Liu, Y Tian, D Jiang, J Yan, ... Nature Machine Intelligence 4 (7), 645–651, 2022 | 27 | 2022 |
Introducing block design in graph neural networks for molecular properties prediction Y Li, P Li, X Yang, CY Hsieh, S Zhang, X Wang, R Lu, H Liu, X Yao Chemical Engineering Journal 414, 128817, 2021 | 25 | 2021 |
Improving drug-target affinity prediction via feature fusion and knowledge distillation R Lu, J Wang, P Li, Y Li, S Tan, Y Pan, H Liu, P Gao, G Xie, X Yao Briefings in Bioinformatics 24 (3), bbad145, 2023 | 8 | 2023 |
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning D Jiang, H Sun, J Wang, CY Hsieh, Y Li, Z Wu, D Cao, J Wu, T Hou Briefings in Bioinformatics 23 (2), bbab597, 2022 | 7 | 2022 |
Generic interpretable reaction condition predictions with open reaction condition datasets and unsupervised learning of reaction center X Wang, CY Hsieh, X Yin, J Wang, Y Li, Y Deng, D Jiang, Z Wu, H Du, ... Research 6, 0231, 2023 | 6 | 2023 |
Interface-aware molecular generative framework for protein-protein interaction modulators J Wang, J Mao, C Li, H Xiang, X Wang, S Wang, Z Wang, Y Chen, Y Li, ... bioRxiv, 2023.10. 10.557742, 2023 | 4 | 2023 |
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules X Yin, X Wang, Y Li, J Wang, Y Wang, Y Deng, T Hou, H Liu, P Luo, X Yao Journal of Chemical Information and Modeling 63 (20), 6169-6176, 2023 | | 2023 |
Versatile Framework for Drug–Target Interaction Prediction by Considering Domain-Specific Features S Liu, J Yu, N Ni, Z Wang, M Chen, Y Li, C Xu, Y Ding, J Zhang, X Yao, ... Journal of Chemical Information and Modeling, 2023 | | 2023 |
Nightseg: Enhancing Nighttime Segmentation by Emphasizing Boundaries in Common Domain Z Chen, D Lin, Y Li, H Liu Available at SSRN 4743933, 0 | | |