Consistent semantic representation learning for out-of-distribution molecular property prediction
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DOI: 10.1093/bib/bbaf147
Abstract: Abstract Invariant molecular representation models provide potential solutions to guarantee accurate prediction of molecular properties under distribution shifts out-of-distribution (OOD) by identifying and leveraging invariant substructures inherent to the molecules. However, due to the complex… read more here.
Keywords: consistent semantic; representation; property prediction; molecular representation ... See more keywords