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3D Graph Contrastive Learning for Molecular Property Prediction. (arXiv:2208.06360v2 [q-bio.BM] UPDATED)
Aug. 19, 2022, 1:11 a.m. | Kisung Moon, Sunyoung Kwon
cs.LG updates on arXiv.org arxiv.org
Self-supervised learning (SSL) is a method that learns the data
representation by utilizing supervision inherent in the data. This learning
method is in the spotlight in the drug field, lacking annotated data due to
time-consuming and expensive experiments. SSL using enormous unlabeled data has
shown excellent performance for molecular property prediction, but a few issues
exist. (1) Existing SSL models are large-scale; there is a limitation to
implementing SSL where the computing resource is insufficient. (2) In most
cases, they …
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