Ling Min Serena Khoo

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04:00

2026-10-05

arxiv.org

machine-learning

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

A September 30, 2026 arXiv report by Ling Min Serena Khoo systematically compares several nearest-neighbour retrieval variants for molecular fingerprint prediction from MS/MS spectra, showing how diff…

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arXiv 1 Khoo and Barzilay 1 Liu et al. 1 Gupta et al. 1

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machine learning 1 ai research 1