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Hierarchical Molecular Graph Self-Supervised Learning for property prediction
Molecular graph representation learning has shown considerable strength in molecular analysis and drug discovery. Due to the difficulty of obtaining molecular property labels, pre-training models based on self-supervised learning has become increasingly popular in molecular representation learning....
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9938270/ https://www.ncbi.nlm.nih.gov/pubmed/36801953 http://dx.doi.org/10.1038/s42004-023-00825-5 |