| Adaptation Author-trained/evaluated retrieval models under the settings in Section 5.1. Candidate sets are kept distinct by dataset, split and whether the molecular formula is supplied. Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.adaptation Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Comparison: metric implementation Recall@20 Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.metric_implementation Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Comparison: protocol id msalign-2026-table3-task-nplib1-formula-supplied-r-20 Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.protocol_id Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Evaluation group id msalign-2026-table3-method-msalign-plus-filter-msalign-2026-table3-dataset-nplib1-formula-supplied-candidate-pool-evaluation-setup Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.evaluation_group_id Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Evidence overlap Complete Table 3 of one paper; dataset/split/input groups are not independent replications of a common protocol. Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.evidence_overlap Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Origin author_reported Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.origin Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Protocol 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. Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.protocol Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Source location Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.source_locator Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Description MSAlign molecular retrieval evaluation of MSAlign (+Filter) on NPLIB1 retrieval with formula supplied, scored with Recall@20. Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: description Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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| Relationship: assessment msalign-2026-table3-task-nplib1-formula-supplied-r-20 Context-only references | msalign: Primary paper PDF Original source ↗ Table 3, NPLIB1, row R@20, column 11 (MSAlign (+Filter)) Version: 2605.19752v1 Retrieved: 2026-09-16T20:04:04.777728+00:00 | not individually reviewed No individual claim review recorded author reported Audit detailsField: links:assessment:msalign-2026-table3-task-nplib1-formula-supplied-r-20 Source artifact SHA-256: 7395a55141ee7916741b7d9e6d4f42a1d3a03217a36ce6824ac3ff48afd4f26f Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact Inspected artifact |
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