CasANGCL: pre-training and fine-tuning model based on cascaded attention network and graph contrastive learning for molecular property prediction
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DOI: 10.1093/bib/bbac566
Abstract: MOTIVATION Molecular property prediction is a significant requirement in AI-driven drug design and discovery, aiming to predict the molecular property information (e.g. toxicity) based on the mined biomolecular knowledge. Although graph neural networks have been… read more here.
Keywords: attention network; cascaded attention; network; molecular property ... See more keywords