• Corpus ID: 238259534

Motif-based Graph Self-Supervised Learning for Molecular Property Prediction

  title={Motif-based Graph Self-Supervised Learning for Molecular Property Prediction},
  author={Zaixin Zhang and Qi Liu and Hao Wang and Chengqiang Lu and Chee-Kong Lee},
Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In cases where labeled data is scarce, GNNs can be pre-trained on unlabeled molecular data to first learn the general semantic and structural information before being finetuned for specific tasks. However, most existing self-supervised pre-training frameworks for… 

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