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Machine learning

Spectrum of the past

Thirty-four years ago, Curry and Rumelhart described a neural network-based approach to annotate tandem mass spectra. Their ideas foreshadowed several important developments in computational mass spectrometry over the past decade, but many of the challenges they discuss remain relevant today.

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Fig. 1: Overview of the design of MSnet.

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Correspondence to Michael A. Skinnider.

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Caffeine on the National Institute of Standards and Technology (NIST) chemistry webbook: https://webbook.nist.gov/cgi/cbook.cgi?ID=C58082&Mask=2

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Skinnider, M.A. Spectrum of the past. Nat Rev Chem 8, 85–86 (2024). https://doi.org/10.1038/s41570-023-00570-2

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