Molecular property prediction by contrastive learning with attention-guided positive sample selection

HIGHLIGHTS

• who: Jinxian Wang and colleagues from the Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, China have published the research work: Molecular Property Prediction by Contrastive Learning with Attention-Guided Positive Sample Selection, in the Journal: (JOURNAL)
• what: The authors propose a new method for molecular property prediction by Contrastive Learning with Attention-guided Positive-sample Selection (CLAPS). In this paper, to boost the prediction of molecular properties, the authors propose a new method (the framework is shown in Fig 1) called CLAPS, which uses contrastive learning with . . .
  

   

  

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