SAIL

Overview

Evaluated retrieval configuration from MSAlign Table 3; model-specific inputs and training are retained in the protocol.

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

Evaluations and results

4 evaluations · 12 metric rows. Different protocols are not a single leaderboard.

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Tested model or methodProtocolDatasetEvaluation setupMetricEvidence origin

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Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: SAIL	Protocol: MSAlign molecular retrieval MassSpecGym formula split: no formula, R@1: MassSpecGym formula split retrieval with no formula Dataset subset: MassSpecGym formula split, no formula candidate pool (MSAlign molecular retrieval split)	29.5% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval MassSpecGym formula split: no formula, R@1: MassSpecGym formula split retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval MassSpecGym formula split: no formula, R@20: MassSpecGym formula split retrieval with no formula Dataset subset: MassSpecGym formula split, no formula candidate pool (MSAlign molecular retrieval split)	73.0% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval MassSpecGym formula split: no formula, R@20: MassSpecGym formula split retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval MassSpecGym formula split: no formula, R@5: MassSpecGym formula split retrieval with no formula Dataset subset: MassSpecGym formula split, no formula candidate pool (MSAlign molecular retrieval split)	51.3% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval MassSpecGym formula split: no formula, R@5: MassSpecGym formula split retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split)	09.5% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split)	45.2% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split)	23.9% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval NPLIB1: no formula, R@1: NPLIB1 retrieval with no formula Dataset subset: NPLIB1, no formula candidate pool (MSAlign molecular retrieval split)	18.6% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval NPLIB1: no formula, R@1: NPLIB1 retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval NPLIB1: no formula, R@20: NPLIB1 retrieval with no formula Dataset subset: NPLIB1, no formula candidate pool (MSAlign molecular retrieval split)	75.8% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval NPLIB1: no formula, R@20: NPLIB1 retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval NPLIB1: no formula, R@5: NPLIB1 retrieval with no formula Dataset subset: NPLIB1, no formula candidate pool (MSAlign molecular retrieval split)	46.4% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval NPLIB1: no formula, R@5: NPLIB1 retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval Spectraverse: no formula, R@1: Spectraverse retrieval with no formula Dataset subset: Spectraverse, no formula candidate pool (MSAlign molecular retrieval split)	14.5% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval Spectraverse: no formula, R@1: Spectraverse retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval Spectraverse: no formula, R@20: Spectraverse retrieval with no formula Dataset subset: Spectraverse, no formula candidate pool (MSAlign molecular retrieval split)	57.4% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval Spectraverse: no formula, R@20: Spectraverse retrieval with no formula Section 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 7 (SAIL)
Configuration: SAIL	Protocol: MSAlign molecular retrieval Spectraverse: no formula, R@5: Spectraverse retrieval with no formula Dataset subset: Spectraverse, no formula candidate pool (MSAlign molecular retrieval split)	34.3% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible	Independent external evaluation · source checked Methods, coverage and source SAIL on MSAlign molecular retrieval Spectraverse: no formula, R@5: Spectraverse retrieval with no formula Section 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 7 (SAIL)

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