Strengths and considerations
No source-reviewed explanatory claims are recorded here yet.
Protocol
MassSpecGym · formula (MassSpecGym Molecule retrieval)
MassSpecGym · formula · Table 3. Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split
Sources
MassSpecGym: A benchmark for the discovery and identification of molecules · Table 3: Hit rate @1, formulaAt a glance
Inputs, training, access and other details
Explanatory profile: limited source coverage · Automated source review, 2026-09-17. Review applies to the cited claims; unresolved fields are listed below. Numerical results retain their own review status.
| Property | Description and evidence |
|---|---|
| Datasets | Not extracted or verified for this record. |
| Organisms | Not extracted or verified for this record. |
| Assays | Not extracted or verified for this record. |
| Splits | Not extracted or verified for this record. |
| Allowed inputs | Not extracted or verified for this record. |
| Adaptation | Not extracted or verified for this record. |
| Metrics | Not extracted or verified for this record. |
| Baselines | Not extracted or verified for this record. |
How it works
Evaluation in this paper
Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split
Sources
MassSpecGym: A benchmark for the discovery and identification of molecules · Table 3: Hit rate @1, formulaEvaluation design
Benchmarks bring together tasks and protocols. A task describes the biological question; a protocol defines a particular test.
Benchmarks
Tasks
These source-backed links do not make different protocols or scores interchangeable.
Recorded evaluations
Each evaluation records what was tested and under which conditions.
Published comparisons
Explore the results reported under one evaluation protocol. Each figure keeps its source, dataset and metric together; it is not a ranking across studies.
MassSpecGym · formula · Table 3
Hit rate @1 (percent) · Higher values are better for this metric.
Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split
- Random (formula) · Configuration · Author-reported evaluation3.06 (2.64-3.52)
- DeepSets (formula) · Configuration · Author-reported evaluation4.42 (3.92-4.97)
- Fingerprint FFN (formula) · Configuration · Author-reported evaluation5.09 (4.57-5.66)
- DeepSets + Fourier features (formula) · Configuration · Author-reported evaluation6.56 (5.95-7.16)
- MIST (formula) · Configuration · Author-reported evaluation9.57 (8.88-10.30)
Source order is preserved. Plotted marks show point estimates; uncertainty, where reported, is retained in the printed values and table. Differences do not establish statistical significance.
MassSpecGym: A benchmark for the discovery and identification of molecules · Table 3: Hit rate @1, formulaValues, uncertainty and evidence
| Tested entity | Printed value | Uncertainty | Evidence |
|---|---|---|---|
| Random (formula) · Configuration | 3.06 (2.64-3.52) percent | type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 2.64; upper: 3.52 | Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Random, Hit rate @1 |
| DeepSets (formula) · Configuration | 4.42 (3.92-4.97) percent | type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 3.92; upper: 4.97 | Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets, Hit rate @1 |
| Fingerprint FFN (formula) · Configuration | 5.09 (4.57-5.66) percent | type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 4.57; upper: 5.66 | Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Fingerprint FFN, Hit rate @1 |
| DeepSets + Fourier features (formula) · Configuration | 6.56 (5.95-7.16) percent | type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 5.95; upper: 7.16 | Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets + Fourier features, Hit rate @1 |
| MIST (formula) · Configuration | 9.57 (8.88-10.30) percent | type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 8.88; upper: 10.30 | Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, MIST, Hit rate @1 |
Scope and limitations
- Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.
- Zero generation accuracy is a reported result, not missingness.
- No checkpoint revision inferred from method name.
- Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.
- Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.
Source transcription and grouping reviewed by automated source review on 2026-09-17. These experiments were not independently reproduced by rewire.
Tested entities and results
Release 2026-09-17-d277315f7d76 · 5 evaluations · 20 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| Random (formula): MassSpecGym · formula Configuration: Random (formula)Protocol: MassSpecGym · formula (MassSpecGym Molecule retrieval)Dataset: MassSpecGym · formula Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review | ||
| 27.74 (26.52-28.84)% Hit rate @20 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 26.52; upper: 28.84 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Random, Hit rate @20 Source checking is not independent reproduction. |
| 11.35 (10.60-12.12)% Hit rate @5 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 10.60; upper: 12.12 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Random, Hit rate @5 Source checking is not independent reproduction. |
| 13.87 (13.70-14.03) MCES @1 Unit: edge-edit distance · Direction: lower | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 13.70; upper: 14.03 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Random, MCES @1 Source checking is not independent reproduction. |
| 3.06 (2.64-3.52)% Hit rate @1 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 2.64; upper: 3.52 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Random, Hit rate @1 Source checking is not independent reproduction. |
| DeepSets (formula): MassSpecGym · formula Configuration: DeepSets (formula)Protocol: MassSpecGym · formula (MassSpecGym Molecule retrieval)Dataset: MassSpecGym · formula Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review | ||
| 4.42 (3.92-4.97)% Hit rate @1 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 3.92; upper: 4.97 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets, Hit rate @1 Source checking is not independent reproduction. |
| 14.46 (13.58-15.36)% Hit rate @5 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 13.58; upper: 15.36 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets, Hit rate @5 Source checking is not independent reproduction. |
| 15.04 (14.89-15.19) MCES @1 Unit: edge-edit distance · Direction: lower | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 14.89; upper: 15.19 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets, MCES @1 Source checking is not independent reproduction. |
| 30.76 (29.67-31.93)% Hit rate @20 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 29.67; upper: 31.93 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets, Hit rate @20 Source checking is not independent reproduction. |
| MIST (formula): MassSpecGym · formula Configuration: MIST (formula)Protocol: MassSpecGym · formula (MassSpecGym Molecule retrieval)Dataset: MassSpecGym · formula Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review | ||
| 41.12 (39.98-42.34)% Hit rate @20 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 39.98; upper: 42.34 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, MIST, Hit rate @20 Source checking is not independent reproduction. |
| 9.57 (8.88-10.30)% Hit rate @1 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 8.88; upper: 10.30 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, MIST, Hit rate @1 Source checking is not independent reproduction. |
| 22.11 (21.10-23.13)% Hit rate @5 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 21.10; upper: 23.13 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, MIST, Hit rate @5 Source checking is not independent reproduction. |
| 12.75 (12.59-12.91) MCES @1 Unit: edge-edit distance · Direction: lower | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 12.59; upper: 12.91 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, MIST, MCES @1 Source checking is not independent reproduction. |
| DeepSets + Fourier features (formula): MassSpecGym · formula Configuration: DeepSets + Fourier features (formula)Protocol: MassSpecGym · formula (MassSpecGym Molecule retrieval)Dataset: MassSpecGym · formula Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review | ||
| 33.46 (32.39-34.59)% Hit rate @20 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 32.39; upper: 34.59 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets + Fourier features, Hit rate @20 Source checking is not independent reproduction. |
| 6.56 (5.95-7.16)% Hit rate @1 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 5.95; upper: 7.16 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets + Fourier features, Hit rate @1 Source checking is not independent reproduction. |
| 14.14 (13.98-14.31) MCES @1 Unit: edge-edit distance · Direction: lower | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 13.98; upper: 14.31 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets + Fourier features, MCES @1 Source checking is not independent reproduction. |
| 16.46 (15.58-17.35)% Hit rate @5 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 15.58; upper: 17.35 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, DeepSets + Fourier features, Hit rate @5 Source checking is not independent reproduction. |
| Fingerprint FFN (formula): MassSpecGym · formula Configuration: Fingerprint FFN (formula)Protocol: MassSpecGym · formula (MassSpecGym Molecule retrieval)Dataset: MassSpecGym · formula Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review | ||
| 5.09 (4.57-5.66)% Hit rate @1 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 4.57; upper: 5.66 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Fingerprint FFN, Hit rate @1 Source checking is not independent reproduction. |
| 14.69 (13.83-15.56)% Hit rate @5 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 13.83; upper: 15.56 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Fingerprint FFN, Hit rate @5 Source checking is not independent reproduction. |
| 14.94 (14.79-15.09) MCES @1 Unit: edge-edit distance · Direction: lower | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 14.79; upper: 15.09 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Fingerprint FFN, MCES @1 Source checking is not independent reproduction. |
| 31.97 (30.86-33.10)% Hit rate @20 Unit: percent · Direction: higher | Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 30.86; upper: 33.10 Scored: Not reported · Eligible: Not reported | source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 3, bonus formula challenge, Fingerprint FFN, Hit rate @20 Source checking is not independent reproduction. |
Papers and result coverage
Last literature check: 2026-09-17. Primary-source discovery and table/protocol screening; source checked is not independently reproduced. Raw acquisitions not automatically numerical publication approval.
| Paper or primary resource | Version | Reference |
|---|---|---|
| MassSpecGym: A benchmark for the discovery and identification of molecules | 2410.23326v1 | Read source |
What is still missing
- Independent batch review before import; preserve existing observation identities.
Search and extraction details
complete comparison tables extracted pending publication review
Searches
- MassSpecGym 2410.23326 benchmark results Table 1 Table 2
Evidence locations
- Table 3: Hit rate @1, formula
Strengths and limitations
Limitations and conditions
No source-reviewed explanatory claims are recorded here yet.
Profile review details
Primary-source transcription and separate automated review. No human sign-off or experimental reproduction.
Stable record: paper-protocol-1e7bb17e6ce294d906Evidence table
Inspect claims, sources and review details
Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.
One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
4 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Evaluation in this paper Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Individual claims | MassSpecGym: A benchmark for the discovery and identification of molecules Table 3: Hit rate @1, formula Version: 2410.23326v1 | source checked automated source review · 2026-09-17 Audit detailsPrimary-source transcription and separate automated review. No human sign-off or experimental reproduction. Field: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Introduction MassSpecGym · formula · Table 3. Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Individual claims | MassSpecGym: A benchmark for the discovery and identification of molecules Table 3: Hit rate @1, formula Version: 2410.23326v1 | source checked automated source review · 2026-09-17 Audit detailsPrimary-source transcription and separate automated review. No human sign-off or experimental reproduction. Field: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: evaluates task discovery-benchmark-massspecgym-molecule-retrieval Individual claims | MassSpecGym: A benchmark for the discovery and identification of molecules Table 3: Hit rate @1, formula Version: 2410.23326v1 | source checked automated source review · 2026-09-17 Audit detailsField: Claim: paper-claim-a5d8e86cdbf805cb95 Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: part of discovery-benchmark-massspecgym Individual claims | MassSpecGym: A benchmark for the discovery and identification of molecules Table 3: Hit rate @1, formula Version: 2410.23326v1 | source checked automated source review · 2026-09-17 Audit detailsField: Claim: paper-claim-f62a04f361e74f042e Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
Sources and history
Release 2026-09-17-d277315f7d76 · Record review: needs review
1 source records and release history
- MassSpecGym: A benchmark for the discovery and identification of molecules · Original source · 2410.23326v1
Technical metadata and extraction receipts
Stable ID: paper-protocol-1e7bb17e6ce294d906
- areas
- metabolomics
- entity level
- protocol
- protocol
- Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split
- comparison panels
- id: part2-massspecgym-table3-ac4b0b4611; title: MassSpecGym · formula · Table 3; protocol id: paper-protocol-1e7bb17e6ce294d906; dataset id: paper-dataset-e3dee7ae24615eecfb; metric: Hit rate @1; unit: percent; direction: higher; result ids: paper-result-96eb3d9e4116e85dc3; paper-result-19979776fcf90cd085; paper-result-6d5f81ef670db6f81b; paper-result-7e55a965688b10e2cc; paper-result-761f932c6a35c888bb; source ids: part2-massspecgym-arxiv-v1; source locator: Table 3: Hit rate @1, formula; context: Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table3-a71e8b64c9; title: MassSpecGym · formula · Table 3; protocol id: paper-protocol-1e7bb17e6ce294d906; dataset id: paper-dataset-e3dee7ae24615eecfb; metric: Hit rate @5; unit: percent; direction: higher; result ids: paper-result-6bf388327e502fbdd6; paper-result-1b7eee640fec71e99b; paper-result-773438d255878a0817; paper-result-a2021eb25d2e915417; paper-result-7a7bc4ebdca6051342; source ids: part2-massspecgym-arxiv-v1; source locator: Table 3: Hit rate @5, formula; context: Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table3-8dc4756cf6; title: MassSpecGym · formula · Table 3; protocol id: paper-protocol-1e7bb17e6ce294d906; dataset id: paper-dataset-e3dee7ae24615eecfb; metric: Hit rate @20; unit: percent; direction: higher; result ids: paper-result-1816c840f0de8bc10b; paper-result-c905d384ee9e3b5f91; paper-result-e1302d68232a47d02d; paper-result-46121102e555a35255; paper-result-3b6baab5e2664e30e6; source ids: part2-massspecgym-arxiv-v1; source locator: Table 3: Hit rate @20, formula; context: Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table3-ebdb34929b; title: MassSpecGym · formula · Table 3; protocol id: paper-protocol-1e7bb17e6ce294d906; dataset id: paper-dataset-e3dee7ae24615eecfb; metric: MCES @1; unit: edge-edit distance; direction: lower; result ids: paper-result-8b2608a402d6ab54e6; paper-result-47e90701446fc3f6b0; paper-result-88df2cfb82ff24f522; paper-result-8d04b85ca056e77ff0; paper-result-e5a6f34b3603af99f9; source ids: part2-massspecgym-arxiv-v1; source locator: Table 3: MCES @1, formula; context: Retrieve the correct molecule from up to 256 candidates using an input spectrum; compare separately within the main challenge and molecular-formula challenge. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17
- benchmark research
- review date: 2026-09-17; status: complete_comparison_tables_extracted_pending_publication_review; primary sources: part2-massspecgym-arxiv-v1; inspected locators: Table 3: Hit rate @1, formula; searched queries: MassSpecGym 2410.23326 benchmark results Table 1 Table 2; gaps: Independent batch review before import; preserve existing observation identities.; claim scope: Primary-source discovery and table/protocol screening; source checked is not independently reproduced. Raw acquisitions not automatically numerical publication approval.
- legacy kinds
- benchmark
- entity classification
- review date: 2026-09-17; rationale: The source-backed record identifies a specified evaluated procedure and its dataset/split/scoring context. Classify it as a protocol while preserving version and comparison restrictions.; source ids: part2-massspecgym-arxiv-v1; source locator: Table 3: Hit rate @1, formula; ambiguities: None recorded
Related records
- evaluates task: MassSpecGym Molecule retrieval
- part of: MassSpecGym
- subject: MassSpecGym · formula (MassSpecGym Molecule retrieval): links:evaluates_task:discovery-benchmark-massspecgym-molecule-retrieval
- subject: MassSpecGym · formula (MassSpecGym Molecule retrieval): links:part_of:discovery-benchmark-massspecgym
- benchmark: DeepSets (formula): MassSpecGym · formula
- benchmark: DeepSets + Fourier features (formula): MassSpecGym · formula
- benchmark: MIST (formula): MassSpecGym · formula
- benchmark: Random (formula): MassSpecGym · formula
- benchmark: Fingerprint FFN (formula): MassSpecGym · formula