Dataset subset reported in MSAlign v1: Table 3. Exact split manifest remains unextracted; source-table identity is retained.
3 evaluations · 9 results. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| 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: MIST | 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) | 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, NPLIB1, row R@1, column 9 (MIST) |
| Configuration: MIST | 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) | 73.8% 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 9 (MIST) |
| Configuration: MIST | 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) | 52% 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 9 (MIST) |
| Configuration: MSAlign (+Filter) | 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) | 34.7% Top-1 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Author-reported 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 11 (MSAlign (+Filter)) |
| Configuration: MSAlign (+Filter) | 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) | 87.9% Top-20 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Author-reported 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 11 (MSAlign (+Filter)) |
| Configuration: MSAlign (+Filter) | 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) | 64.7% Top-5 accuracy (retrieval) percent · higher Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Author-reported 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 11 (MSAlign (+Filter)) |
Source checking is not independent reproduction. Release 2026-11-02-a7f03c9e55a5.
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Release 2026-11-02-a7f03c9e55a5 · Evidence verified: Not verified
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2 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Description Dataset subset reported in MSAlign v1: Table 3. Exact split manifest remains unextracted; source-table identity is retained. Context-only references | msalign: Primary paper PDF No field-specific location recorded Version: 2605.19752v1 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
| Name NPLIB1, formula supplied candidate pool (MSAlign molecular retrieval split) Context-only references | msalign: Primary paper PDF No field-specific location recorded Version: 2605.19752v1 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
Release 2026-11-02-a7f03c9e55a5 · Record review: source checked
Stable ID: msalign-2026-table3-dataset-nplib1-formula-supplied-candidate-pool