arxiv
PublishedJuly 14, 2026 at 4:00 AM
—neutral
Scaffold splits hide structural-frontier failures in ADMET models
Publisher summary· verbatim
arXiv:2607.10729v1 Announce Type: new Abstract: Molecular property models are commonly evaluated by holding out Bemis--Murcko scaffolds, yet a scaffold identifier is only one notion of chemical unfamiliarity. We introduce a label-free structural-frontier split that reserves the sparsest and most phy
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Originally published on arxiv ↗