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by a_bonobo 1675 days ago
I've seen lots of good come out of GNNs in the biomedical space.

For example, in drug discovery you can treat any molecule and its biochemical properties as a graph so you can store the entire structure as a graph. So you make a million graphs of the biocompounds you know, a million graphs of random/similar compounds, and see which of the new million molecules the GNN will predict to work on disease X.

Long review here that might be closed access: https://academic.oup.com/bib/article/22/6/bbab159/6278145