Published

Chemical Substance

vr.wm-mat-001 · wm-mat-001-chemical-substance

Describe one governed chemical substance identity with qualified composition, property assertions and traceable evidence references.

World Models Physical world and living systems PHY.MAT.CHEM

Bundle → Layer → Finding → Questions Classifiers What it is Why it exists Distinguishing features What robots and AI may and may not do Moral aspects Owners Links to other meta-models Identity and identifiers Direct properties Recognition Capabilities and actions Hazards and failure modes Standards and interfaces Context of use Sources

Bundle → Layer → Finding → Questions Filled

6 bundles · 12 layers · 12 findings · 36 questions

Identity and designation Identity basis and Names and identifier assignments.

Identity basis

A record must state its identity basis. Scientific chemical-entity identity and regulatory grouping are distinguishable profiles; the latter never silently asserts a unique molecular graph.

Declared substance boundary

A record must state its identity basis. Scientific chemical-entity identity and regulatory grouping are distinguishable profiles; the latter never silently asserts a unique molecular graph.

What identity basis determines the subject of this substance record? definition
Which substance category is asserted under which classification profile? classification
What distinctions would require a separate identity rather than a revision of this record? validation

Names and identifier assignments

Names and registry assignments are source-scoped assertions. A matching synonym, formula or identifier lookup is evidence for review rather than an automatic merge.

Qualified names and identifiers

Names and registry assignments are source-scoped assertions. A matching synonym, formula or identifier lookup is evidence for review rather than an automatic merge.

Which master namespace and identifier persist across local revisions? identity
Who assigned each external identifier or name and to which stated substance scope? provenance
How are ambiguous names and conflicting identifier assignments represented without merging subjects? exception

Constitution and representation Composition envelope and Chemical representation and form.

Composition envelope

Record constituent roles and supported ranges at the declared identity scope. Unknown components and basis differences remain visible. Composition evidence must not become a formulation recipe or lot assay master.

Constituents and compositional uncertainty

Which constituents, impurities and identity-relevant additives are known within the stated envelope? composition
Which compositional fractions remain unidentified, unquantified or confidential? quality
Which composition variation is supported within this identity and which needs a new identity assessment? constraint

Chemical representation and form

Retain structure representations with generator and normalization metadata. Stereochemistry, isotope, charge, form and grouping scope cannot be discarded silently; an unavailable representation is a valid explicit state.

Representation granularity

Which formula and structure representations apply and how were they generated? interoperability
Which stereochemical, isotopic, ionic or physical-form qualifiers distinguish the asserted subject? state
What representational loss or unsupported chemistry prevents a reliable identity comparison? exception

Properties and behavior Physical and chemical properties and Behavior and capability context.

Physical and chemical properties

Selected values are tied to the subject form and conditions. Measured, calculated and declared values remain distinct. Proposed uncertainty fields do not imply that uncertainty has been evaluated.

Condition-qualified property assertions

Selected values are tied to the subject form and conditions. Measured, calculated and declared values remain distinct. Proposed uncertainty fields do not imply that uncertainty has been evaluated.

What property value or range is asserted for which form and conditions? measurement
Which measurement or calculation supports the property and what uncertainty is reported? evidence
Which incompatible determinations remain visible and why was a preferred value selected? quality

Behavior and capability context

Behavior claims need conditions and evidence. A material role or possible behavior is not an instruction, permission or demonstrated outcome. Hazardous transformations stay at policy and reference level.

Bounded behavior assertions

What use or material-role claim is supported and what evidence limits its applicability? requirement
Which stability or compatibility assessment must be consulted before relying on a behavior claim? constraint
What missing or conflicting behavior evidence requires specialist review? decision

Recognition and evidence Recognition evidence and Evidence lineage and quality.

Recognition evidence

Analytical evidence supports a scoped identity assessment. Label or appearance matching alone is insufficient under this proposed assurance policy. Methods, sample references and interpretations are preserved externally.

Identity assessment from observations

Which analytical observations support or contradict the proposed identity? evidence
Which sample and test identities connect the evidence to this substance scope? relationship
Who assessed the identity evidence and what unresolved alternatives remain? validation

Evidence lineage and quality

Assertion attribution and derivation preserve the source chain and conflicting evidence. A digest checks bytes, not scientific truth; unavailable or withdrawn evidence remains an explicit assessment state.

Traceable assertion assessment

How was a source record transformed into the local substance assertion? provenance
When was the evidence observed, published, assessed and ingested at its actual precision? temporal
How do correction, withdrawal or missing evidence affect the assertion status? quality

Safety and occurrence context Safety and regulatory references and Occurrences and downstream context.

Safety and regulatory references

Safety documents and classifications are external references with scheme, revision and applicability. Missing data never means safe. A document link cannot authorize a use, transport action or legal compliance claim.

Qualified external safety context

Which authority or responsible issuer supports the linked safety or regulatory assertion? authority
Which revision and applicability period govern the referenced safety information? temporal
Which policy requires escalation when safety references are missing, restricted or contradictory? security

Occurrences and downstream context

Lots, samples, formulations and uses remain separately identified. A linked occurrence does not transfer its stock, custody, location or lifecycle into the substance model.

External subject bindings

Lots, samples, formulations and uses remain separately identified. A linked occurrence does not transfer its stock, custody, location or lifecycle into the substance model.

Which external lots, samples or formulations claim a relationship to this substance identity? relationship
Where is occurrence or use context mastered when location matters to an assertion? spatial
What binding uncertainty prevents applying class-level evidence to a particular occurrence? constraint

Stewardship and exchange Record lifecycle and stewardship and Exchange and controlled disclosure.

Record lifecycle and stewardship

A record can be proposed, reviewed, superseded or retired without implying creation or destruction of matter. A correction, identity split and new chemical identity require distinct decisions.

Identity-preserving record change

A record can be proposed, reviewed, superseded or retired without implying creation or destruction of matter. A correction, identity split and new chemical identity require distinct decisions.

Which local lifecycle state and supersession links describe this substance record? lifecycle
Which accountable roles may curate, review and approve this record within the adopting namespace? ownership
What evidenced change requires reassessment of dependent assertions and bindings? event

Exchange and controlled disclosure

Exports preserve scope and evidence qualifiers. Access and retention are adopting-profile decisions; source licensing and mandatory safety access need review. A research field group is not an executable instance schema.

Qualified projection and retention

Which pinned mapping can represent this substance scope without silently losing qualifiers? interoperability
Which recipient may receive each evidence or composition view under the applicable policy? access
Which retention, correction and disposal rules govern local records while preserving lawful reference continuity? retention

Classifiers Filled

Family: World Models
Category: Physical world and living systems
Entry kind: entity
Navigation path: NAV.PHY.MAT.CHEM
Domain: PHY.MAT.CHEM
Industry: Cross-industry
Tags: chemicalsubstancephy.mat.chem
Also called: M1

What it is Filled

An instance is a persistent substance identity record for a kind of matter, not a molecule token, inventory lot or universal registry. It declares whether its identity basis is a defined chemical entity or a jurisdiction-qualified substance grouping. All physical and regulatory assertions carry applicability and evidence; uncertain sameness remains unresolved.

In scope

Master identity, names, external identifier assignments and explicit sameness criteria
Composition envelope, chemical representations and form-qualified property assertions
Recognition evidence, safety-profile references, occurrence links and governed record continuity

Out of scope

Engineered material grades and mixture recipes; lot quantities, custody, storage and transport operations
Laboratory execution, raw measurement masters, hazard classification engines and regulatory submissions
Manufacture, synthesis routes, dosing, reaction execution, weapons or controlled-item operational guidance
A single worldwide source of truth, automatic equivalence of registry codes, executable instance schemas or compliance certification

Why it exists Filled

Describe one governed chemical substance identity with qualified composition, property assertions and traceable evidence references.

Distinguishing features Derived, awaiting review

Unlike WM-MAT-002 Engineered Material: Material grades and engineering performance are separately mastered. This record supplies only a substance reference, not the whole legacy material domain.
Unlike WM-MAT-003 Mixture / Formulation: A formulation deliberately combines substance references. A regulatory multi-constituent or UVCB identity is not automatically a formulation and needs its own stated identity basis.
Unlike WM-MAT-004 Material Batch / Lot: Physical quantity, holder, stock status, movement and storage location belong to the lot. The substance record identifies a kind of matter, not one bounded quantity.
Unlike WM-MAT-005 Lab Sample / Specimen: Sample identity and custody remain external. Sample evidence supports a scoped substance assertion without proving every occurrence is identical.
Unlike WM-MAT-006 Hazardous-material profile: Classification decisions, operational controls and hazard-profile lifecycle remain external. This model records applicability-qualified references and unresolved warnings only.
Unlike WM-MAT-007 Laboratory Test / Analysis: Test procedure, execution and laboratory workflow remain external; only evidence links and their interpretation for identity or properties belong here.
Unlike WM-MAT-008 Observation / Measurement Record: Raw observations and measurement lifecycle remain external. Substance-level selected assertions retain the observation reference and conditions.

Note: Derived from boundary notes against neighbouring models.

What robots and AI may and may not do Derived, awaiting review

Must not

External lot, test, measurement and safety masters own their own deletion and lifecycle; local retirement cannot destroy matter or withdraw a legal registration.
Deny writes and restricted evidence access unless a role and purpose grant applies.
Document emergency or mandatory safety-information access under applicable authority; never treat a generic public record as blanket access to confidential data.

May

Resolve a qualified substance reference: Proposed, unimplemented local operation. Compare namespace, identifiers and declared identity scope; return candidates when sameness is unresolved.
Record an identity assessment: Proposed, unimplemented local operation. Append a qualified reviewer assessment using existing evidence; never infer analytical confirmation from a label.
Attach a property assertion: Proposed, unimplemented local operation. Link an existing determination with units, conditions and reported uncertainty without changing the observation master.
Link safety context: Proposed, unimplemented local operation. Record an existing safety-profile or document reference and applicability; do not classify hazards or approve use.
Propose a record correction or split: Proposed, unimplemented local operation. Prepare a reviewable identity change with dependency impact; approval remains a separate authorized decision.
Prepare a permitted local projection: Proposed, unimplemented local operation. Apply a pinned mapping and recipient scope; refuse silent loss of identity, safety or evidence qualifiers.

Note: Derived from functions, policies, CRUD and access rules; prohibitions were not authored for agents as such.

Moral aspects Missing, in the backlog

Not described yet. This gap is in the card backlog.

Owners Filled

Steward

Accountable adopting custodian role and authority policy

Roles

Substance custodian: Maintains namespace, scope and accountable curation authority.
Scientific reviewer: Assesses identity, representations, property evidence and uncertainty without replacing external masters.
Safety profile reviewer: Checks linked safety applicability and escalates gaps; cannot infer operational approval from this record.
Data steward: Maintains permitted mappings, provenance, retention and recipient views.
Authorized reader: Uses only scoped assertions and reports ambiguity or stale references.

Links to other meta-models Filled

references

WM-MAT-002 - Material grades and engineering performance are separately mastered. This record supplies only a substance reference, not the whole legacy material domain. Proposed optional binding; neighbor specification and version must be pinned before implementation.
WM-MAT-003 - A formulation deliberately combines substance references. A regulatory multi-constituent or UVCB identity is not automatically a formulation and needs its own stated identity basis. Proposed optional binding; neighbor specification and version must be pinned before implementation.
WM-MAT-004 - Physical quantity, holder, stock status, movement and storage location belong to the lot. The substance record identifies a kind of matter, not one bounded quantity. Proposed optional binding; neighbor specification and version must be pinned before implementation.
WM-MAT-005 - Sample identity and custody remain external. Sample evidence supports a scoped substance assertion without proving every occurrence is identical. Proposed optional binding; neighbor specification and version must be pinned before implementation.
WM-MAT-006 - Classification decisions, operational controls and hazard-profile lifecycle remain external. This model records applicability-qualified references and unresolved warnings only. Proposed optional binding; neighbor specification and version must be pinned before implementation.
WM-MAT-007 - Test procedure, execution and laboratory workflow remain external; only evidence links and their interpretation for identity or properties belong here. Proposed optional binding; neighbor specification and version must be pinned before implementation.
WM-MAT-008 - Raw observations and measurement lifecycle remain external. Substance-level selected assertions retain the observation reference and conditions. Proposed optional binding; neighbor specification and version must be pinned before implementation.

aligned

InChI - Conceptual representation alignment; pin implementation and normalization options, retain source representation and report losses.
OECD Harmonised Templates - Conceptual study and endpoint exchange alignment; select and validate specific template versions before claiming conformance.
PROV-O - Conceptual assertion lineage alignment; this model does not implement a general provenance engine.

neighbor

WM-MAT-002 Engineered Material - Material grades and engineering performance are separately mastered. This record supplies only a substance reference, not the whole legacy material domain.
WM-MAT-003 Mixture / Formulation - A formulation deliberately combines substance references. A regulatory multi-constituent or UVCB identity is not automatically a formulation and needs its own stated identity basis.
WM-MAT-004 Material Batch / Lot - Physical quantity, holder, stock status, movement and storage location belong to the lot. The substance record identifies a kind of matter, not one bounded quantity.
WM-MAT-005 Lab Sample / Specimen - Sample identity and custody remain external. Sample evidence supports a scoped substance assertion without proving every occurrence is identical.
WM-MAT-006 Hazardous-material profile - Classification decisions, operational controls and hazard-profile lifecycle remain external. This model records applicability-qualified references and unresolved warnings only.
WM-MAT-007 Laboratory Test / Analysis - Test procedure, execution and laboratory workflow remain external; only evidence links and their interpretation for identity or properties belong here.
WM-MAT-008 Observation / Measurement Record - Raw observations and measurement lifecycle remain external. Substance-level selected assertions retain the observation reference and conditions.

What else AI and robots need to interact with it Incomplete

Sources Filled

Chemical substance - International Union of Pure and Applied Chemistry
What is a substance? - European Chemicals Agency
How to characterise and identify your substance - European Chemicals Agency
InChI, the IUPAC International Chemical Identifier - InChI project authors
A Guide to the NIST Chemistry WebBook - National Institute of Standards and Technology
OECD Harmonised Templates - Organisation for Economic Co-operation and Development
29 CFR 1910.1200 Appendix D - Safety Data Sheets - Occupational Safety and Health Administration
PROV-O: The PROV Ontology - World Wide Web Consortium
Date and Time on the Internet: Timestamps - Internet Engineering Task Force

Open questions

Verify full current identity guidance and source versions, applicable legal profiles and reuse rights, including the three indexed-only sources.
Develop specialist identity profiles and fixtures for unresolved stereochemistry, salts and forms, variable composition, polymers, nanoforms and conflicting sample evidence.
Pin neighboring specifications and representation implementations; build nested data schemas and tested loss-aware exchange mappings.
Restore independent external review before any canonical or publishable-draft promotion.
Independent external review is absent under the owner waiver.
Direct HTTP verification is not run because the owner reports sandbox blocking; three official sources are supported only by indexed text.
Current identity guidance, legal applicability, licensing and specialist chemical profile review remain open.
Nested instance schemas, controlled vocabularies, representation test fixtures, pinned neighbor versions and executable mappings are not delivered.

Machine files

Card as JSON Specification AGENTS.md Source Card backlog vercy.card/1

Provenance

world-models research · reviewable-draft

Built from: models/wm-mat-001-chemical-substance/spec.yaml