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MolFeSCue: enhancing molecular property prediction in data-limited and imbalanced contexts using few-shot and contrastive learning.

Ruochi ZhangChao WuQian YangChang LiuYan WangKewei LiLan HuangFengfeng Zhou
Published in: Bioinformatics (Oxford, England) (2024)
We have made all the source code utilized in this study publicly accessible via GitHub at http://www.healthinformaticslab.org/supp/ or https://github.com/zhangruochi/MolFeSCue. The code (MolFeSCue-v1-00) is also available as the supplementary file of this paper.
Keyphrases
  • electronic health record
  • big data
  • single molecule