Result

- Jensen-Shannon similarity

FFN Fingerprint: Jensen-Shannon similarity on MassSpecGym · formula

Tested configuration: FFN Fingerprint (formula)
Protocol: MassSpecGym · formula (MassSpecGym Spectrum simulation)
Dataset: MassSpecGym · formula
Procedure: Predict a spectrum from a molecule under measurement conditions. Metadata-complete simulation subset; simulation-derived retrieval is distinct from direct molecule retrieval in Table 3. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split
Evaluation: FFN Fingerprint (formula): MassSpecGym · formula
Evidence: Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 4, bonus formula challenge, FFN Fingerprint, Jensen-Shannon similarity

A source-checked result verifies the numerical transcription, not every model or protocol detail. Evaluation metadata: needs review. Source checked does not mean independently reproduced.

Evaluation results

Release 2026-09-17-d277315f7d76 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard.

Evaluation setupMetricEvidence origin

Results grouped by the exact reported evaluation
Metric and finding	Coverage and uncertainty	Evidence
FFN Fingerprint (formula): MassSpecGym · formula Configuration: FFN Fingerprint (formula)Protocol: MassSpecGym · formula (MassSpecGym Spectrum simulation)Dataset: MassSpecGym · formula Predict a spectrum from a molecule under measurement conditions. Metadata-complete simulation subset; simulation-derived retrieval is distinct from direct molecule retrieval in Table 3. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review
- Jensen-Shannon similarity Unit: dimensionless · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 4, bonus formula challenge, FFN Fingerprint, Jensen-Shannon similarity Source checking is not independent reproduction.

Evidence table

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.

1 evidence row matching the loaded filters

Claims, original sources and review scope · Release 2026-09-17-d277315f7d76
Property and statement	Original source and location	Review and provenance
Reported result - Individual claims	MassSpecGym: A benchmark for the discovery and identification of molecules Original source ↗ Table 4, bonus formula challenge, FFN Fingerprint, Jensen-Shannon similarity Version: 2410.23326v1 Retrieved: 2026-09-17T07:56:11.146650+00:00	source checked Primary-table transcription and separate automated source review · 2026-09-17 author reported Audit details Source checked does not mean experimentally reproduced. Field: `attributes.printed_value` Source artifact SHA-256: `82176d50e8947c8b9baa2a0d91493f5680c0e4c7e25a2266ff7879f48a58c40c` Hash scope: Exact retrieved primary paper artifact bytes. Inspected artifact

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Sources and history

Release 2026-09-17-d277315f7d76 · Record review: source checked

MassSpecGym: A benchmark for the discovery and identification of molecules · Original source · 2410.23326v1

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Technical metadata and extraction receipts

Stable ID: paper-result-2b21b310f615fdd824

areas: metabolomics
printed value: -
numeric value: Not reported
metric: Jensen-Shannon similarity
metric direction: higher
unit: dimensionless
uncertainty: Not reported
eligible count: Not reported
scored count: Not reported
reported population: Not reported
source locator: Table 4, bonus formula challenge, FFN Fingerprint, Jensen-Shannon similarity
source occurrences: source id: part2-massspecgym-arxiv-v1; locator: Table 4, bonus formula challenge, FFN Fingerprint, Jensen-Shannon similarity
review: method: Primary-table transcription and separate automated source review; date: 2026-09-17; note: Source checked does not mean experimentally reproduced.
missing metadata: scored count: unreported; eligible count: unextracted; checkpoint revision: unextracted; uncertainty: unreported

Related records

evaluation: FFN Fingerprint (formula): MassSpecGym · formula

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