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ChemHyperMag: Physics-informed magnetic hypergraph learning improves molecular ADMET prediction

arXiv cs.LG · 2026-07-22 Cached

This paper proposes ChemHyperMag, a physics-informed magnetic hypergraph learning method for multitask ADMET prediction that uses functional group hypergraphs and a Hermitian magnetic Laplacian to capture asymmetric interactions and directional signals, improving prediction accuracy with fewer labeled samples.

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