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    "story_id": "mp-2026-10-19-019",
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    "headline": "A Spectrum Guides Three Rounds of Bond Edits",
    "slug": "a-spectrum-guides-three-rounds-of-bond-edits",
    "dek": "GEMS preserves molecular formula and valence while searching nearby isomers from imperfect initial candidates.",
    "summary": "GEMS preserves molecular formula and valence while searching nearby isomers from imperfect initial candidates.",
    "body_text": "GEMS scores valid two-switch bond edits using a spectrum-derived fingerprint and searches from several candidate structures. With the true structure excluded from initialization, three edit rounds reached reported top-one accuracy near 30 percent on two benchmarks and substantially reduced runtime relative to the authors' FRIGID run. Exact-fingerprint experiments showed that spectrum-to-fingerprint prediction remains a bottleneck. The method narrows molecular identification search; it does not replace experimental confirmation.",
    "why_it_matters": "GEMS preserves molecular formula and valence while searching nearby isomers from imperfect initial candidates.",
    "limitations": [
      "The method narrows molecular identification search; it does not replace experimental confirmation."
    ],
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    "first_published_at": "2026-10-19T09:00:00.000-04:00",
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        "text": "GEMS preserves molecular formula and valence while searching nearby isomers from imperfect initial candidates.",
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        "qualification": "The method narrows molecular identification search; it does not replace experimental confirmation."
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    "tags": [
      "mass spectrometry",
      "molecular structure",
      "search"
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  "sources": [
    {
      "source_id": "source-2026-10-19-021",
      "title": "arXiv preprint 2610.23617, original v1",
      "publisher": "arXiv",
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    "name": "The Machine Press",
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    "title": "A Spectrum Guides Three Rounds of Bond Edits",
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