nearest-neighbour

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Nearest-neighbour baselines for fingerprint prediction from MS/MS spectra under different assumptions

arXiv cs.LG ↗ · 2026-10-05 Cached

该预印本系统比较了在不同推理信息假设(无化学式、已知化学式、峰值带子式注释)下的最近邻基线方法,用于从MS/MS光谱预测分子指纹,评估了五种谱相似度在NPLIB1与MassSpecGym数据集上的表现。

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