{
  "vercy": "1.0-draft",
  "publication": {
    "status": "research-draft",
    "adjudicationStatus": "unreviewed",
    "publishableCanonical": false,
    "generatedAt": "2026-09-11T10:25:10Z",
    "providers": [
      "Claude"
    ],
    "breadth": "written by Claude from model knowledge without web access - no source was read, every claim is a lead to verify",
    "pass": 2,
    "wave": 1,
    "engine": "claude",
    "enrichment": {
      "pass": 3,
      "engine": "claude",
      "producedAt": "2026-10-05T17:00:00Z",
      "ingestedAt": "2026-10-05T13:30:21+00:00",
      "fields": [
        "agent_conduct",
        "ethics",
        "owners"
      ]
    },
    "gate": {
      "passed": true,
      "version": "1.0",
      "at": "2026-10-07T10:10:25+00:00",
      "evidence": [
        "completeness 1.00",
        "sense: Wikidata description",
        "2 live sources",
        "review by codex: pass"
      ]
    }
  },
  "metaModel": {
    "id": "THING-Q11369",
    "registryId": "vr.tr.molecule",
    "name": "molecule",
    "version": "0.2.0-wave.1",
    "entryKind": "thing",
    "family": "Thing Registry",
    "domain": [
      "PHY.MAT"
    ],
    "status": "research-draft"
  },
  "canonicalUrl": "https://ver.cy/models/thing/q11369/",
  "model": {
    "registry_id": "vr.tr.molecule",
    "name": "molecule",
    "purpose": "Let an agent handle molecules by composition, structure, properties, identifiers and representation.",
    "definition": "An electrically neutral group of two or more atoms held together by chemical bonds, such as H2O, O2 or large biomolecules; the smallest unit of a substance that keeps its chemical properties.",
    "what_it_is_for": "Understanding chemistry, materials and biology.",
    "affordances": [
      "identify molecules by formula and name",
      "describe structure and bonding",
      "look up properties in databases",
      "represent molecules in software"
    ],
    "distinguishing_features": [
      "Bonded group of atoms",
      "Neutral overall",
      "Defined composition",
      "Property of a substance"
    ],
    "appearance": "Invisible to the eye; shown as formulas, models and computer structures.",
    "visual_identification": [
      "Molecular formulas and structures",
      "Identifiers such as InChI and SMILES",
      "Ions and ionic lattices are related but different"
    ],
    "physical_properties": [
      {
        "quantity": "Molecular mass",
        "unit": "Da",
        "typical_range": "",
        "note": "Molecular mass is determined from isotopic composition or measured using mass spectrometry with appropriate interpretation of detected ions."
      },
      {
        "quantity": "Molecular dimensions",
        "unit": "nm",
        "typical_range": "",
        "note": "Dimensions are estimated from structural measurements or molecular models using a stated geometric definition and conformation."
      },
      {
        "quantity": "Electric dipole moment",
        "unit": "D",
        "typical_range": "",
        "note": "The molecular dipole moment is determined by spectroscopy or calculation for a specified molecular state and conformation."
      }
    ],
    "families_and_kinds": [
      "diatomic molecules",
      "small organic molecules",
      "macromolecules and polymers",
      "biomolecules",
      "molecular ions (related)"
    ],
    "related_models": [
      {
        "relation": "is a kind of",
        "target": "molecular entity",
        "why": "category"
      },
      {
        "relation": "is made of",
        "target": "atom",
        "why": "components"
      },
      {
        "relation": "is held by",
        "target": "chemical bond",
        "why": "bonding"
      },
      {
        "relation": "is identified by",
        "target": "InChI and CAS number",
        "why": "identifiers"
      }
    ],
    "identifiers": [
      {
        "scheme": "InChI",
        "value_or_pattern": "IUPAC identifier",
        "note": "structure"
      },
      {
        "scheme": "CAS Registry Number",
        "value_or_pattern": "numeric",
        "note": "substance"
      }
    ],
    "standards_and_regulation": [
      "IUPAC nomenclature",
      "REACH substance registration"
    ],
    "failure_modes_and_hazards": [
      "Confusing molecules and ions",
      "Ambiguous names"
    ],
    "in_scope": [],
    "out_of_scope": [],
    "characteristics": [],
    "agent_conduct": {
      "may": [
        "Describe molecules, their structures and properties from chemistry databases, citing them.",
        "Model molecular structures for teaching and legitimate research."
      ],
      "must_not": [
        "Help design, make or use molecules intended to harm people, such as chemical weapons or poisons.",
        "Present unverified predicted properties as measured facts.",
        "Give health claims for molecules that the evidence does not support."
      ],
      "requires_human": [
        "Ordering or synthesising new compounds.",
        "Sharing research on compounds of concern."
      ]
    },
    "ethics": {
      "considerations": [
        "Molecular knowledge underpins medicine and industry and can also be misused.",
        "Toxicity data protects workers and consumers when reported honestly."
      ],
      "affected_parties": [
        "Researchers and students",
        "Workers handling chemicals",
        "The public"
      ]
    },
    "owners": {
      "steward": "Nobody: a concept of chemistry held in common; chemical databases record known molecules.",
      "master_systems": [
        "Chemical substance registries"
      ]
    }
  },
  "sources": [
    {
      "id": "wikidata",
      "title": "Wikidata item Q11369: molecule",
      "url": "https://www.wikidata.org/wiki/Q11369",
      "url_status": "live",
      "what_it_supports": "identity and sense of the item",
      "checked_by": "wikidata-api"
    },
    {
      "id": "wikipedia-en",
      "title": "Wikipedia: Molecule",
      "url": "https://en.wikipedia.org/wiki/Molecule",
      "url_status": "live",
      "what_it_supports": "general description of the item",
      "checked_by": "wikidata-api sitelink"
    }
  ],
  "structure": {
    "bundles": [
      {
        "id": "identity",
        "name": "Identity",
        "description": "Which molecule.",
        "rationale": "Identifiers disambiguate.",
        "layers": [
          {
            "id": "name",
            "name": "Name",
            "description": "Formula and name.",
            "findings": [
              {
                "id": "name-finding",
                "name": "Name",
                "description": "Name and formula.",
                "questions": [
                  {
                    "text": "What are its formula and IUPAC name?",
                    "kind": "definition"
                  },
                  {
                    "text": "What are its InChI and CAS number?",
                    "kind": "provenance"
                  }
                ]
              }
            ]
          },
          {
            "id": "isomers",
            "name": "Isomers",
            "description": "Structure.",
            "findings": [
              {
                "id": "isomers-finding",
                "name": "Isomers",
                "description": "Isomers.",
                "questions": [
                  {
                    "text": "Which isomer or stereoisomer is meant?",
                    "kind": "boundary"
                  },
                  {
                    "text": "How does it differ from others?",
                    "kind": "definition"
                  }
                ]
              }
            ]
          }
        ]
      },
      {
        "id": "structure",
        "name": "Structure",
        "description": "Bonding.",
        "rationale": "Structure explains behaviour.",
        "layers": [
          {
            "id": "bonds",
            "name": "Bonds",
            "description": "Bonding.",
            "findings": [
              {
                "id": "bonds-finding",
                "name": "Bonds",
                "description": "Bonding.",
                "questions": [
                  {
                    "text": "What bonds and shape does the molecule have?",
                    "kind": "definition"
                  },
                  {
                    "text": "Is it polar?",
                    "kind": "definition"
                  }
                ]
              }
            ]
          },
          {
            "id": "models",
            "name": "Models",
            "description": "Representation.",
            "findings": [
              {
                "id": "models-finding",
                "name": "Models",
                "description": "Representation.",
                "questions": [
                  {
                    "text": "How should it be represented in software?",
                    "kind": "action"
                  },
                  {
                    "text": "Which file format is used?",
                    "kind": "definition"
                  }
                ]
              }
            ]
          }
        ]
      },
      {
        "id": "properties",
        "name": "Properties",
        "description": "Data.",
        "rationale": "Data need sources.",
        "layers": [
          {
            "id": "physical",
            "name": "Physical",
            "description": "Mass and phase.",
            "findings": [
              {
                "id": "physical-finding",
                "name": "Physical",
                "description": "Physical properties.",
                "questions": [
                  {
                    "text": "What are its molar mass, melting and boiling points?",
                    "kind": "measurement"
                  },
                  {
                    "text": "From which database?",
                    "kind": "provenance"
                  }
                ]
              }
            ]
          },
          {
            "id": "hazards",
            "name": "Hazards",
            "description": "Safety.",
            "findings": [
              {
                "id": "hazards-finding",
                "name": "Hazards",
                "description": "Hazards.",
                "questions": [
                  {
                    "text": "What hazards does the substance have, according to its safety data sheet?",
                    "kind": "provenance"
                  },
                  {
                    "text": "How should it be handled?",
                    "kind": "action"
                  }
                ]
              }
            ]
          }
        ]
      },
      {
        "id": "learning",
        "name": "Learning",
        "description": "Teaching.",
        "rationale": "Clear models help.",
        "layers": [
          {
            "id": "explain",
            "name": "Explain",
            "description": "Simple terms.",
            "findings": [
              {
                "id": "explain-finding",
                "name": "Explain",
                "description": "Explanation.",
                "questions": [
                  {
                    "text": "How can molecules be explained with models?",
                    "kind": "action"
                  },
                  {
                    "text": "Which examples help?",
                    "kind": "action"
                  }
                ]
              }
            ]
          },
          {
            "id": "scale",
            "name": "Scale",
            "description": "Size.",
            "findings": [
              {
                "id": "scale-finding",
                "name": "Scale",
                "description": "Scale.",
                "questions": [
                  {
                    "text": "How large is the molecule?",
                    "kind": "measurement"
                  },
                  {
                    "text": "How can its scale be visualised?",
                    "kind": "action"
                  }
                ]
              }
            ]
          }
        ]
      }
    ]
  },
  "openQuestions": [
    "Should molecule classes be separate entries?",
    "How should chemical databases be linked?",
    "How should stereoisomers be handled?"
  ],
  "statistics": {
    "bundles": 4,
    "layers": 8,
    "findings": 8,
    "questions": 16
  }
}