2023

Can Large Language Models Empower Molecular Property Prediction?

Qian, Chen, Tang, Huayi, Yang, Zhirui et al.

Understand

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines.

  • Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.
  • Recently, the rapid development of Large Language Models (LLMs) has revolutionized the field of NLP.
  • Although it is natural to utilize LLMs to assist in understanding molecules represented by SMILES, the exploration of how LLMs will impact molecular property prediction is still in its early stage.

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