Dataset subset reported in DreaMS primary article: Extended Data Table 1. Exact split manifest remains unextracted; source-table identity is retained.
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6 evaluations · 45 results. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Cos. similarity: MIST CANOPUS fingerprint retrieval: Cos. similarity Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 0.646 fingerprint_cosine_similarity dimensionless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Cos. similarity |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 32.7% accuracy_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceDreaMS fingerprint (ours) on MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 1 |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 67.7% accuracy_at_10 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 10 |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 100: MIST CANOPUS fingerprint retrieval: Top 100 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 87.1% accuracy_at_100 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 100 |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 20: MIST CANOPUS fingerprint retrieval: Top 20 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 75.4% accuracy_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 20 |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 200: MIST CANOPUS fingerprint retrieval: Top 200 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 90.8% accuracy_at_200 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 200 |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 5: MIST CANOPUS fingerprint retrieval: Top 5 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 59.4% accuracy_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceDreaMS fingerprint (ours) on MIST CANOPUS retrieval Top 5: MIST CANOPUS fingerprint retrieval: Top 5 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 5 |
| Configuration: DreaMS fingerprint (ours) | Protocol: MIST CANOPUS retrieval Top 50: MIST CANOPUS fingerprint retrieval: Top 50 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 82.4% accuracy_at_50 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row DreaMS fingerprint (ours), column Top 50 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 20.6% accuracy_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 1 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 54.4% accuracy_at_10 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 10 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 100: MIST CANOPUS fingerprint retrieval: Top 100 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 80.6% accuracy_at_100 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 100: MIST CANOPUS fingerprint retrieval: Top 100 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 100 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 20: MIST CANOPUS fingerprint retrieval: Top 20 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 63.5% accuracy_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 20: MIST CANOPUS fingerprint retrieval: Top 20 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 20 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 200: MIST CANOPUS fingerprint retrieval: Top 200 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 86.1% accuracy_at_200 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 200: MIST CANOPUS fingerprint retrieval: Top 200 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 200 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 5: MIST CANOPUS fingerprint retrieval: Top 5 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 45% accuracy_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 5: MIST CANOPUS fingerprint retrieval: Top 5 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 5 |
| Configuration: FFN contrastive | Protocol: MIST CANOPUS retrieval Top 50: MIST CANOPUS fingerprint retrieval: Top 50 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 75.1% accuracy_at_50 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN contrastive on MIST CANOPUS retrieval Top 50: MIST CANOPUS fingerprint retrieval: Top 50 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN contrastive, column Top 50 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Cos. similarity: MIST CANOPUS fingerprint retrieval: Cos. similarity Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 0.537 fingerprint_cosine_similarity dimensionless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Cos. similarity |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 17.3% accuracy_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 1 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 45.6% accuracy_at_10 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 10 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 100: MIST CANOPUS fingerprint retrieval: Top 100 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 71.3% accuracy_at_100 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 100: MIST CANOPUS fingerprint retrieval: Top 100 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 100 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 20: MIST CANOPUS fingerprint retrieval: Top 20 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 54.6% accuracy_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 20: MIST CANOPUS fingerprint retrieval: Top 20 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 20 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 200: MIST CANOPUS fingerprint retrieval: Top 200 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 77.4% accuracy_at_200 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 200: MIST CANOPUS fingerprint retrieval: Top 200 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 200 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 5: MIST CANOPUS fingerprint retrieval: Top 5 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 37.1% accuracy_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 5: MIST CANOPUS fingerprint retrieval: Top 5 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 5 |
| Configuration: FFN fingerprint | Protocol: MIST CANOPUS retrieval Top 50: MIST CANOPUS fingerprint retrieval: Top 50 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 63.9% accuracy_at_50 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceFFN fingerprint on MIST CANOPUS retrieval Top 50: MIST CANOPUS fingerprint retrieval: Top 50 MIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row FFN fingerprint, column Top 50 |
| Configuration: MIST contrastive + fingerprint | Protocol: MIST CANOPUS retrieval Top 1: MIST CANOPUS fingerprint retrieval: Top 1 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 30.7% accuracy_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row MIST contrastive + fingerprint, column Top 1 |
| Configuration: MIST contrastive + fingerprint | Protocol: MIST CANOPUS retrieval Top 10: MIST CANOPUS fingerprint retrieval: Top 10 Dataset subset: MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) | 68.9% accuracy_at_10 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Evaluation origin not reported · Source checkedMethods, coverage and sourceMIST CANOPUS PubChem candidate retrieval; candidate positives share true molecule InChIKey first14 characters, negatives share molecular formula; rank cosine similarity of predicted and candidate fingerprints; accuracy@k is fraction of spectra with positive candidate in top k, printed as percent. Full test set named in Extended Data Table 1; exact split version/hash unextracted; 8000 spectra/7000 molecules describes total benchmark, not confirmed test denominator. Aggregation: Not reported dreams: Journal full-text XML · Extended Data Table 1 (XML Tab1), row MIST contrastive + fingerprint, column Top 10 |
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| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| description Dataset subset reported in DreaMS primary article: Extended Data Table 1. Exact split manifest remains unextracted; source-table identity is retained. Context-only references | dreams: Journal full-text XML No field-specific location recorded Version: Retrieved page snapshot; no immutable publisher revision supplied | 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 MIST CANOPUS benchmark test set used in DreaMS Extended Data Table 1 (MIST CANOPUS retrieval split) Context-only references | dreams: Journal full-text XML No field-specific location recorded Version: Retrieved page snapshot; no immutable publisher revision supplied | 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 |
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Stable ID: dreams-mist-retrieval-dataset-mist-canopus-benchmark-test-set-used-in-dreams-extended-data-table-1