GraphGIM: rethinking molecular graph contrastive learning via geometry image modeling

Abstract Background Learning molecular representations is crucial for accurate drug discovery. Using graphs to represent molecules is a popular solution, and many researchers have used contrastive learning to improve the generalization of molecular graph representations. Results In this work, we rev...

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Bibliographic Details
Main Authors: Chaoyi Li, Hongxin Xiang, Wenjie Du, Tengfei Ma, Haowen Chen, Xiangxiang Zeng, Lei Xu
Format: Article
Language:English
Published: BMC 2025-07-01
Series:BMC Biology
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Online Access:https://doi.org/10.1186/s12915-025-02249-0
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