data/benchmarks/substitution_triplets/manifest.json

{
  "admission": {
    "discordance_rule": "Morgan/Tanimoto(target,distractor) > Morgan/Tanimoto(target,preferred)",
    "distractor_rule": "deterministic max-Tanimoto; same coarse odour class preferred, else global structural nearest; no perceptual label used in selection",
    "identity_rule": "structural identity via registry CAS, or trade-name resolved to a parseable SMILES from the empirical corpus (trade names allowed per project decision)",
    "preference_rule": "independent authoritative supplier substitution claim prefers substitute over distractor",
    "required_fields": [
      "target",
      "preferred_substitute",
      "structural_distractor",
      "preference_provenance"
    ]
  },
  "admitted_triplet_count": 20,
  "coverage_note": "Most supplier substitutions involve naturals or proprietary bases without a single-structure identity, so the admissible set is bounded by structural identity on both arms. 8 triplets is the honest, verifiable set from this corpus; expand with expert-rated perceptual preferences for publication scale.",
  "label_access": "evaluation_only; forbidden in training and model selection",
  "schema_version": 1,
  "skipped": {
    "no_distractor": 3,
    "no_identity": 60
  },
  "status": "complete"
}