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| "Z-class solvent/carrier": 1.524744845682869, |
| "captive": 8.94841522937015, |
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| "single molecule / trade name": 39.39947474528077, |
| "trace modifier": 1.9253711652578773 |
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| "unresolved_mass_share_of_total_formula_mass_by_type_guess": { |
| "Z-class solvent/carrier": 0.011833292362697137, |
| "captive": 0.06944716940133365, |
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| "single molecule / trade name": 0.30577280186758515, |
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| "unresolved_oav_proxy_by_type_guess_where_computable": { |
| "single molecule / trade name": 0.1614737303320375, |
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| "unresolved_oav_proxy_share_by_type_guess_where_computable": { |
| "single molecule / trade name": 0.013039833644776304, |
| "trace modifier": 8.391101225864323e-06 |
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| "unresolved_row_share_by_type_guess": { |
| "Z-class solvent/carrier": 0.011599806669888834, |
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| "single molecule / trade name": 0.35814403093281777, |
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| "single molecule / trade name": 741, |
| "trace modifier": 666 |
| }, |
| "well_resolved_formula_count_existing_oav_gate": 11 |
| }, |
| "part_b_canonicalization": { |
| "allow_live_resolution": false, |
| "formula_coverage_distributions": { |
| "post_canonical_mass": { |
| "max": 0.9, |
| "min": 0.013491124260355028, |
| "p25": 0.24399999999999988, |
| "p50": 0.447, |
| "p75": 0.6360000000000001 |
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| "post_canonical_oav_proxy": { |
| "max": 1.0, |
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| "p50": 1.0, |
| "p75": 1.0 |
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| "max": 0.9090909090909091, |
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| "p50": 0.45, |
| "p75": 0.5625 |
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| "hollow_formula_count_post_canonical": 120, |
| "lifted_rows_by_source": { |
| "materials": 18, |
| "registry_name": 1 |
| }, |
| "nominal_post_canonical_oav_gate_count_before_hollow_check": 131, |
| "post_canonical_mass_resolution_rate": 0.456441608862872, |
| "post_canonical_oav_proxy_known_rows": 1058, |
| "post_canonical_resolved_rows": 1737, |
| "post_canonical_row_resolution_rate": 0.45867441246369156, |
| "post_canonical_unresolved_rows": 2050, |
| "post_canonical_usable_formula_count_oav_gate": 11, |
| "remaining_unresolved_top": [ |
| [ |
| "Bergamot “Superior” Oil, FCF", |
| 33 |
| ], |
| [ |
| "Sandalwood Mysore “Signature” Oil", |
| 31 |
| ], |
| [ |
| "Bergamot “Superior” Oil FCF", |
| 31 |
| ], |
| [ |
| "Iralia®", |
| 22 |
| ], |
| [ |
| "Methyl Ionone Gamma Coeur", |
| 21 |
| ], |
| [ |
| "Vetiver Bourbon “Signature” Oil", |
| 20 |
| ], |
| [ |
| "Cyclosia®", |
| 19 |
| ], |
| [ |
| "Geranium Bourbon “Supreme” Oil", |
| 18 |
| ], |
| [ |
| "Patchouli Light Aceh PA38", |
| 18 |
| ], |
| [ |
| "Vertofix® Coeur", |
| 16 |
| ], |
| [ |
| "Cedarwood “Superior” Oil, Virginia", |
| 16 |
| ], |
| [ |
| "Paradise Molecule®", |
| 16 |
| ], |
| [ |
| "Solgard®", |
| 16 |
| ], |
| [ |
| "Hexyl Cinnamic Aldehyde", |
| 14 |
| ], |
| [ |
| "Aerolide®", |
| 13 |
| ], |
| [ |
| "Lemon Oil Messina", |
| 13 |
| ], |
| [ |
| "Patchouli Dark PA30", |
| 12 |
| ], |
| [ |
| "Methyl Pamplemousse", |
| 12 |
| ], |
| [ |
| "Dartanol®", |
| 11 |
| ], |
| [ |
| "Ionone Alpha", |
| 11 |
| ], |
| [ |
| "Labdanum Absolute “Super Premium” 50%", |
| 10 |
| ], |
| [ |
| "Rose Imperiale", |
| 10 |
| ], |
| [ |
| "Lavender Oil “Avice Hill”", |
| 10 |
| ], |
| [ |
| "Styrax Resinoid EAL, Wild", |
| 9 |
| ], |
| [ |
| "Cinnamon Bark Ceylon “Supreme” Oil", |
| 9 |
| ], |
| [ |
| "Muscenone® Delta", |
| 9 |
| ], |
| [ |
| "Linalool ex Bois de Rose", |
| 9 |
| ], |
| [ |
| "Jasmine Grandiflorum Absolute", |
| 9 |
| ], |
| [ |
| "Hedione® High Cis", |
| 8 |
| ], |
| [ |
| "Galaxolide 50 IPM", |
| 8 |
| ], |
| [ |
| "Rhodinol ex Geranium Bourbon", |
| 8 |
| ], |
| [ |
| "Jasmine Absolute, India", |
| 8 |
| ], |
| [ |
| "Jasmin Blanc 638436", |
| 8 |
| ], |
| [ |
| "Dianthus 328930", |
| 8 |
| ], |
| [ |
| "Isoraldeine™ Cetone Alpha", |
| 7 |
| ], |
| [ |
| "Rose Essence", |
| 7 |
| ], |
| [ |
| "Vetiver Oil, Fractionated", |
| 7 |
| ], |
| [ |
| "Eugenol ex Clove, Natural", |
| 7 |
| ], |
| [ |
| "Orcanox™", |
| 7 |
| ], |
| [ |
| "Vetiver Bourbon", |
| 7 |
| ], |
| [ |
| "Phenyl Propyl Alcohol", |
| 7 |
| ], |
| [ |
| "Patchouli Dark Aged PA32", |
| 7 |
| ], |
| [ |
| "Clary Sage Oil France", |
| 7 |
| ], |
| [ |
| "Rosewood Cayenne 113069", |
| 7 |
| ], |
| [ |
| "Floranol 959281", |
| 7 |
| ], |
| [ |
| "10%", |
| 7 |
| ], |
| [ |
| "Bergamot Reggio 406968", |
| 7 |
| ], |
| [ |
| "Lindenol™", |
| 6 |
| ], |
| [ |
| "Nutmeg Oil, Aceh", |
| 6 |
| ], |
| [ |
| "Muscone Laevo", |
| 6 |
| ], |
| [ |
| "Patchouli Heart MD PA50", |
| 6 |
| ], |
| [ |
| "Rose D’Orient", |
| 6 |
| ], |
| [ |
| "Mandarin Oil, Green", |
| 6 |
| ], |
| [ |
| "Benzoin Siam Resinoid 50 PCT TEC", |
| 6 |
| ], |
| [ |
| "Triethyl Citrate, Natural", |
| 6 |
| ], |
| [ |
| "Geranium Bourbon “Superior” Oil", |
| 6 |
| ], |
| [ |
| "Rose Imperiale 819656", |
| 6 |
| ], |
| [ |
| "Verdox HC", |
| 5 |
| ], |
| [ |
| "Acetal CD", |
| 5 |
| ], |
| [ |
| "Jasmin Imperial", |
| 5 |
| ], |
| [ |
| "Irisone® Alpha", |
| 5 |
| ], |
| [ |
| "Eugenol ex Clove", |
| 5 |
| ], |
| [ |
| "Ambreine Samuelson", |
| 5 |
| ], |
| [ |
| "Rose Oxide Laevo 10%", |
| 5 |
| ], |
| [ |
| "Ambrox® Super", |
| 5 |
| ], |
| [ |
| "Oakmoss Green Absolute 50%", |
| 5 |
| ], |
| [ |
| "Oakmoss “IFRA 43” Absolute", |
| 5 |
| ], |
| [ |
| "Sandexol®", |
| 5 |
| ], |
| [ |
| "Ylang-Ylang Extra Oil, Organic", |
| 5 |
| ], |
| [ |
| "Linalool Dextro ex Coriander", |
| 5 |
| ], |
| [ |
| "Vetiveryl Acetate ex Vetiver Haiti", |
| 5 |
| ], |
| [ |
| "Sandexol® 992984", |
| 5 |
| ], |
| [ |
| "Patchouli Dark", |
| 5 |
| ], |
| [ |
| "Civet Tincture 2%", |
| 5 |
| ], |
| [ |
| "Isoeugenyl Acetate", |
| 4 |
| ], |
| [ |
| "Isobutyl Quinoline", |
| 4 |
| ], |
| [ |
| "Peru Balsam “Signature” Resinoid", |
| 4 |
| ], |
| [ |
| "Guaiac Wood Oil", |
| 4 |
| ], |
| [ |
| "Frankincense Oil, Somalia", |
| 4 |
| ], |
| [ |
| "Rhodinyl Acetate", |
| 4 |
| ], |
| [ |
| "Osmanthus “Gold” Absolute 10%", |
| 4 |
| ], |
| [ |
| "Oakmoss “IFRA 43” Absolute 50%", |
| 4 |
| ], |
| [ |
| "Rose Oil “Superior” Bulgaria", |
| 4 |
| ], |
| [ |
| "Frankincense Sacra Oil, Oman", |
| 4 |
| ], |
| [ |
| "Cypriol “Signature” Oil", |
| 4 |
| ], |
| [ |
| "Amyl Cinnamic Aldehyde", |
| 4 |
| ], |
| [ |
| "Bicyclononalactone", |
| 4 |
| ], |
| [ |
| "Peppermint Oil “Black Mitcham” 10%", |
| 4 |
| ], |
| [ |
| "Jasmin Blanc", |
| 4 |
| ], |
| [ |
| "Ambrexol™", |
| 4 |
| ], |
| [ |
| "Ginger Oil Fresh, Côte d’Ivoire", |
| 4 |
| ], |
| [ |
| "Cistus Oil “Rock Rose”", |
| 4 |
| ], |
| [ |
| "Dianthine Extra", |
| 4 |
| ], |
| [ |
| "Bitter Orange Oil", |
| 4 |
| ], |
| [ |
| "Hydroxycitronellal BASF", |
| 4 |
| ], |
| [ |
| "Veticoeur™", |
| 4 |
| ], |
| [ |
| "Persicol", |
| 4 |
| ], |
| [ |
| "Cassis Base 345B", |
| 4 |
| ], |
| [ |
| "Tuberose Supreme", |
| 4 |
| ], |
| [ |
| "Permawood™", |
| 4 |
| ] |
| ] |
| }, |
| "part_c_forward_validation": { |
| "consistent_count": 5, |
| "excluded_insufficient_resolution_count": 120, |
| "family_consistency_rate": 1.0, |
| "gate": ">=85% resolved by OAV proxy where computable", |
| "gated_formula_count": 11, |
| "gated_with_existing_trajectory_count": 6, |
| "mismatch_count": 0, |
| "rateable_gated_formula_count": 5 |
| }, |
| "part_d_mismatch_patterns": { |
| "accord_heavy_mismatch_count": 0, |
| "mismatch_count": 0, |
| "mismatches": [] |
| }, |
| "part_e_status": { |
| "forward_model_paper": "Seed validation corpus only; depends on resolution lift and gated n.", |
| "forward_model_product": "Directly helped on gated formulas with existing trajectories.", |
| "inverse_system": "Untouched; compositions are not reformulation pairs and provide no expert inverse ratings.", |
| "substantivity_spine": "Unaffected; still gated on the separate 202-vs-baseline check." |
| }, |
| "provenance": { |
| "canonicalization": "central structure-derived InChIKey via registry/material resolver; no substring matching", |
| "class_taxonomy_note": "Local artifact provides a 5-family proxy classifier, not the requested 26-class trajectory taxonomy.", |
| "input": "/home/hermes/pino/data/fraterworks_free_formulas.jsonl", |
| "reference_label_status": "published-reference; weak external reference, not supervised ground truth", |
| "training_allowed": false |
| } |
| } |
