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Molecular property prediction by contrastive learning with attention-guided positive sample selection
MOTIVATION: Predicting molecular properties is one of the fundamental problems in drug design and discovery. In recent years, self-supervised learning (SSL) has shown its promising performance in image recognition, natural language processing, and single-cell data analysis. Contrastive learning (CL)...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Oxford University Press
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10188298/ https://www.ncbi.nlm.nih.gov/pubmed/37079731 http://dx.doi.org/10.1093/bioinformatics/btad258 |