MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10

Overview

MIST CANOPUS fingerprint retrieval: Top 10. Scored with Retrieval accuracy@10 on MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1. MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator.

Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.

Results

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Evaluation scope and datasetMetric and reported setup

MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10

accuracy_at_10 (percent) · Higher values are better.

Every method MIST CANOPUS retrieval reports on MIST CANOPUS fingerprint retrieval: Top 10, scored with Retrieval accuracy@10 on MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1.

MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 · MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split)

Evidence origin: Evaluation origin not reported, Author-reported evaluation. Numerical source review does not establish independent reproduction.

dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), Top 10 column; Methods / Molecular fingerprint prediction

DreaMS uses raw spectra; MIST uses peak formula annotations. Do not portray as matched-input or zero-shot comparison.

All comparison limitations (5)

DreaMS uses raw spectra; MIST uses peak formula annotations. Do not portray as matched-input or zero-shot comparison.
Unreported in the inspected table/methods; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator.
Comparator cells are reported in the DreaMS article; original upstream result identities/execution provenance require resolution before claiming independent evidence.
No intervals or standard errors are printed. Dashes are unreported and not zero.
Table includes three contrastive training methods using extra PubChem candidates; this is an author-reported comparison, not a matched-input leaderboard.

Automated source review: 2026-09-23.

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Tested configuration

0255075100

Reported score

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Methods and evaluation design

Procedure, tasks and evaluated configurations

Evaluation design

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Benchmarks

MIST CANOPUS molecular retrieval

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Baseline coverage

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Author-reported evaluations: 1
unreported: 5

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Protocol coverage CSV · Model evaluation matrix · Source table · Release and checksums

Coverage is derived from release 2026-09-23-2b89723c6dd9. Source citations describe the original records; they do not validate an unreviewed baseline proposal. No results have been generated by this audit.

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Evidence

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Evidence table

Inspect claims, sources and review details

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1 evidence row matching the loaded filters

Claims, original sources and review scope · Release 2026-09-23-2b89723c6dd9
Property and statement	Original source and location	Review and provenance
Relationship: part of dreams-2025-mist-canopus-retrieval Individual claims	dreams: Journal full-text XML Original source ↗ Extended Data Table 1 (XML Tab1), Top 10 column; Methods / Molecular fingerprint prediction Version: Retrieved page snapshot; no immutable publisher revision supplied Retrieved: 2026-09-16T19:53:03.200000+00:00	source checked automated source review · 2026-09-23 Audit details Primary-source transcription with no human sign-off and no independent reproduction. Field: `links:part_of:dreams-2025-mist-canopus-retrieval` Claim: dreams-mist-retrieval-association-top-10 Source artifact SHA-256: `4bbe2ecff0ad75944b3aec5131369c1b2f75ff6f4b5dc257487a274fdd7b0fef` Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact

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Sources and history

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Release 2026-09-23-2b89723c6dd9 · Record review: source checked

1 source records and release history

dreams: Journal full-text XML · Original source · Retrieved page snapshot; no immutable publisher revision supplied

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Technical metadata and extraction receipts

Stable ID: dreams-mist-retrieval-task-top-10

areas: metabolomics
tasks: MIST CANOPUS fingerprint retrieval: Top 10
metric: Retrieval accuracy@10
metric direction: higher
dataset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1
protocol: MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator.
source locator: Extended Data Table 1 (XML Tab1), Top 10 column; Methods / Molecular fingerprint prediction
comparison panels: id: dreams-mist-retrieval-panel-top-10; title: MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10; protocol id: dreams-mist-retrieval-task-top-10; dataset id: dreams-mist-retrieval-dataset-mist-canopus-benchmark-test-set-used-in-dreams-extended-data-table-1; metric: accuracy_at_10; unit: percent; direction: higher; result ids: dreams-mist-retrieval-result-ffn-fingerprint-top-10-accuracy-at-10; dreams-mist-retrieval-result-ffn-contrastive-top-10-accuracy-at-10; dreams-mist-retrieval-result-mist-fingerprint-top-10-accuracy-at-10; dreams-mist-retrieval-result-mist-contrastive-top-10-accuracy-at-10; dreams-mist-retrieval-result-mist-contrastive-plus-fingerprint-top-10-accuracy-at-10; dreams-mist-retrieval-result-dreams-fingerprint-ours-top-10-accuracy-at-10; source ids: evidence-official-116050b81d03a38e3b6f; source locator: Extended Data Table 1 (XML Tab1), Top 10 column; Methods / Molecular fingerprint prediction; context: Every method MIST CANOPUS retrieval reports on MIST CANOPUS fingerprint retrieval: Top 10, scored with Retrieval accuracy@10 on MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1.; caveats: DreaMS uses raw spectra; MIST uses peak formula annotations. Do not portray as matched-input or zero-shot comparison.; Unreported in the inspected table/methods; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator.; Comparator cells are reported in the DreaMS article; original upstream result identities/execution provenance require resolution before claiming independent evidence.; No intervals or standard errors are printed. Dashes are unreported and not zero.; Table includes three contrastive training methods using extra PubChem candidates; this is an author-reported comparison, not a matched-input leaderboard.; review: method: automated_source_review; date: 2026-09-23
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