Accurate prediction of molecular properties and drug targets using a self-supervised image representation learning framework X Zeng, H Xiang, L Yu, J Wang, K Li, R Nussinov, F Cheng Nature Machine Intelligence 4 (11), 1004-1016, 2022 | 156 | 2022 |
Chemical structure-aware molecular image representation learning H Xiang, S Jin, X Liu, X Zeng, L Zeng Briefings in Bioinformatics 24 (6), bbad404, 2023 | 12 | 2023 |
A molecular video-derived foundation model for scientific drug discovery H Xiang, L Zeng, L Hou, K Li, Z Fu, Y Qiu, R Nussinov, J Hu, M Rosen-Zvi, ... Nature Communications 15 (1), 9696, 2024 | 5* | 2024 |
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, ... Journal of Cheminformatics 16 (1), 142, 2024 | 4 | 2024 |
Dual-view learning based on images and sequences for molecular property prediction X Zhang, H Xiang, X Yang, J Dong, X Fu, X Zeng, H Chen, K Li IEEE Journal of Biomedical and Health Informatics 28 (3), 1564-1574, 2023 | 4 | 2023 |
An Image-enhanced Molecular Graph Representation Learning Framework XZ Hongxin Xiang, Shuting Jin, Jun Xia, Man Zhou, Jianmin Wang, Li Zeng Proceedings of the Thirty-Third International Joint Conference on Artificial …, 2024 | 3 | 2024 |
FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning J Xia, L Zhang, Y Liu, Y Liu, W Du, Z Gao, B Hu, C Tan, H Xiang, SZ Li Advances in Neural Information Processing Systems 37, 35454-35467, 2025 | 2 | 2025 |
Attribute-guided prototype network for few-shot molecular property prediction L Hou, H Xiang, X Zeng, D Cao, L Zeng, B Song Briefings in Bioinformatics 25 (5), bbae394, 2024 | 1 | 2024 |
A spatial hierarchical network learning framework for drug repositioning allowing interpretation from macro to micro scale Z Ren, X Zeng, Y Lao, H Zheng, Z You, H Xiang, Q Zou Communications Biology 7 (1), 1413, 2024 | | 2024 |
MaskMol: Knowledge-guided Molecular Image Pre-Training Framework for Activity Cliffs with Pixel Masking Z Cheng, H Xiang, P Ma, L Zeng, X Jin, X Yang, J Lin, Y Deng, B Song, ... bioRxiv, 2024.09. 04.611324, 2024 | | 2024 |
MaskMol: Knowledge-guided Molecular Image Pre-Training Framework for Activity Cliffs Z Cheng, H Xiang, P Ma, L Zeng, X Jin, X Yang, J Lin, Y Deng, B Song, ... arXiv preprint arXiv:2409.12926, 2024 | | 2024 |
Bridging the Gap between Database Search and\emph {De Novo} Peptide Sequencing with SearchNovo J Xia, S Liu, J Zhou, S Chen, Z Liu, Y Liu, SZ Li NeurIPS 2024 Workshop on AI for New Drug Modalities, 0 | | |
Supplementary Materials Accurate prediction of molecular targets using a self-supervised image representation learning framework X Zeng, H Xiang, L Yu, J Wang, K Li, R Nussinov, F Cheng | | |