Beyond Tanimoto: a learned bioactivity similarity index enhances ligand discovery.

Front Bioinform · 2025 · PMC12698616 · PMID 41393791

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highly significantp < 1 × 10 −11actually significant

Specifically, for ROC-AUC, the differences were highly significant versus ChemBERTa ( t = 11.99, p < 1 × 10 −11 ) and CLAMP ( t = 10.23, p < 1 × 10 −10 ).

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