ZeroBind: a protein-specific zero-shot predictor with subgraph matching for drug-target interactions
Abstract Existing drug-target interaction (DTI) prediction methods generally fail to generalize well to novel (unseen) proteins and drugs. In this study, we propose a protein-specific meta-learning framework ZeroBind with subgraph matching for predicting protein-drug interactions from their structur...
Main Authors: | Yuxuan Wang, Ying Xia, Junchi Yan, Ye Yuan, Hong-Bin Shen, Xiaoyong Pan |
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Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2023-11-01
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Series: | Nature Communications |
Online Access: | https://doi.org/10.1038/s41467-023-43597-1 |
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