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Open access Jul 2026

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

A label‐free contrastive metric that quantifies intrinsic molecular complexity to optimize training pacing and adapt label smoothing to act as a topological buffer, which preserves the search entropy required for complex multi‐path chemical reasoning.

Tian-Hao Su, Xi-Tao Wang, Mu-Sen Li et al. · 0 citations

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