FLARE
Evaluated retrieval configuration from MSAlign Table 3; model-specific inputs and training are retained in the protocol.
Overview
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Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.
Evaluations and results
4 evaluations · 12 results. Different protocols are not a single leaderboard.
Sorted by Top-1 accuracy (retrieval) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.
All 12 result rows with coverage, uncertainty and sources
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Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: FLARE | Protocol: MSAlign molecular retrieval MassSpecGym formula split: formula supplied, R@1: MassSpecGym formula split retrieval with formula supplied Dataset subset: MassSpecGym formula split, formula supplied candidate pool (MSAlign molecular retrieval split) | 31.8% Top-1 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym formula split, row R@1, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval MassSpecGym formula split: formula supplied, R@20: MassSpecGym formula split retrieval with formula supplied Dataset subset: MassSpecGym formula split, formula supplied candidate pool (MSAlign molecular retrieval split) | 84.1% Top-20 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym formula split, row R@20, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval MassSpecGym formula split: formula supplied, R@5: MassSpecGym formula split retrieval with formula supplied Dataset subset: MassSpecGym formula split, formula supplied candidate pool (MSAlign molecular retrieval split) | 64.5% Top-5 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym formula split, row R@5, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: formula supplied, R@1: MassSpecGym MCES split retrieval with formula supplied Dataset subset: MassSpecGym MCES split, formula supplied candidate pool (MSAlign molecular retrieval split) | 27.2% Top-1 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: formula supplied, R@20: MassSpecGym MCES split retrieval with formula supplied Dataset subset: MassSpecGym MCES split, formula supplied candidate pool (MSAlign molecular retrieval split) | 80.2% Top-20 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: formula supplied, R@5: MassSpecGym MCES split retrieval with formula supplied Dataset subset: MassSpecGym MCES split, formula supplied candidate pool (MSAlign molecular retrieval split) | 53.8% Top-5 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval NPLIB1: formula supplied, R@1: NPLIB1 retrieval with formula supplied Dataset subset: NPLIB1, formula supplied candidate pool (MSAlign molecular retrieval split) | 19.6% Top-1 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, NPLIB1, row R@1, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval NPLIB1: formula supplied, R@20: NPLIB1 retrieval with formula supplied Dataset subset: NPLIB1, formula supplied candidate pool (MSAlign molecular retrieval split) | 76.6% Top-20 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, NPLIB1, row R@20, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval NPLIB1: formula supplied, R@5: NPLIB1 retrieval with formula supplied Dataset subset: NPLIB1, formula supplied candidate pool (MSAlign molecular retrieval split) | 50.8% Top-5 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, NPLIB1, row R@5, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval Spectraverse: formula supplied, R@1: Spectraverse retrieval with formula supplied Dataset subset: Spectraverse, formula supplied candidate pool (MSAlign molecular retrieval split) | 12.3% Top-1 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, Spectraverse, row R@1, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval Spectraverse: formula supplied, R@20: Spectraverse retrieval with formula supplied Dataset subset: Spectraverse, formula supplied candidate pool (MSAlign molecular retrieval split) | 62.5% Top-20 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, Spectraverse, row R@20, column 10 (FLARE) |
| Configuration: FLARE | Protocol: MSAlign molecular retrieval Spectraverse: formula supplied, R@5: Spectraverse retrieval with formula supplied Dataset subset: Spectraverse, formula supplied candidate pool (MSAlign molecular retrieval split) | 33.7% Top-5 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, Spectraverse, row R@5, column 10 (FLARE) |
Source checking is not independent reproduction. Release 2026-11-02-a7f03c9e55a5.
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How it works, versions and access
Additional methodological details, versions and access terms have not yet been extracted into a structured profile for this configuration. Consult the linked sources and evaluation records below.
Evidence
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Evidence table
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Sources and history
Release 2026-11-02-a7f03c9e55a5 · Record review: source checked
1 source record and release history
- msalign: Primary paper PDF · Original source · 2605.19752v1
Technical metadata and extraction receipts
Stable ID: msalign-2026-table3-method-flare
- areas
- metabolomics
- source locator
- Table 3, column FLARE; Section 5.1
- missing metadata
- checkpoint revision: reason: unreported; parameters: reason: unextracted
Related records
- system: FLARE on MSAlign molecular retrieval MassSpecGym formula split: formula supplied, R@1: MassSpecGym formula split retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval MassSpecGym formula split: formula supplied, R@20: MassSpecGym formula split retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval MassSpecGym formula split: formula supplied, R@5: MassSpecGym formula split retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval MassSpecGym MCES split: formula supplied, R@1: MassSpecGym MCES split retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval MassSpecGym MCES split: formula supplied, R@20: MassSpecGym MCES split retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval MassSpecGym MCES split: formula supplied, R@5: MassSpecGym MCES split retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval NPLIB1: formula supplied, R@1: NPLIB1 retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval NPLIB1: formula supplied, R@20: NPLIB1 retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval NPLIB1: formula supplied, R@5: NPLIB1 retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval Spectraverse: formula supplied, R@1: Spectraverse retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval Spectraverse: formula supplied, R@20: Spectraverse retrieval with formula supplied
- system: FLARE on MSAlign molecular retrieval Spectraverse: formula supplied, R@5: Spectraverse retrieval with formula supplied