Detect when a Safety Data Sheet has drifted out of date — a component became SVHC, a classification changed, or a Section 9 value is implausible.When it applies: you need recurring, automated compliance QA where the LLM reads the document and a deterministic engine verifies every claim.
Scenario
An existing Safety Data Sheet drifts out of date: a component became SVHC, a classification changed, or a Section 9 physical value is implausible. Catching this is recurring, manual, and painful.
Agent workflow
- Ingest the SDS (PDF) together with the linked recipe.
- LLM extraction — parse Section 2 (classification), Section 3 (composition), and Section 9 (physical properties).
- Deterministic cross-check — each listed substance versus current ECHA classification / SVHC status; Section 9 values versus the recipe roll-up; declared composition versus the actual recipe.
- Emit a flagged diff — outdated H-statements, newly-listed components not declared, and implausible physical values.
Demo output
An SDS with three highlighted inconsistencies, each annotated with the authoritative source it contradicts. This showcases the philosophy cleanly: the LLM reads the document, the deterministic engine verifies every claim.
Deterministic vs LLM
- Deterministic — every "this is wrong because…" is a lookup or calculation.
- LLM — PDF reading and structured extraction.
Data sources
- Native (offline): RDKit, CoolProp, and PDF/text extraction.
- Public reference layer: the same ECHA + CLP layer as the substitution and roll-up use cases; optionally a REACH Annex II (SDS 16-section) schema for structural validation.
Limits
The output is a flagged diff for human review, not an authoritative re-issue of the SDS. A qualified author remains responsible for the final document.
Skills orchestrated by this use case
This scenario routes an AI agent through the following curated skills.
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Formulation Stability Screen
FormulationScreen a formulation for stability risk by identifying degradation-prone components, predicting stability under stress conditions, and flagging risks with mitigation options — orchestrating Paramus property-prediction and reactivity tools.When to use: a user needs an early read on whether a formulation will stay stable over shelf life or stress.Multi-tool WORKFLOW with stability-risk judgment. -
Excipient Compatibility Screen
FormulationScreen an active ingredient against candidate excipients for chemical and physical incompatibilities, ranking excipients by compatibility risk and flagging known problematic pairings — orchestrating Paramus reactivity, property-prediction, and knowledge-graph tools.When to use: a user needs to choose excipients that won't react with or destabilize the active.Multi-tool WORKFLOW with compatibility judgment.
Tools it reaches for
- RDKit molecular descriptors
- CoolProp thermophysical properties
- PDF / text extraction
Browse the full deterministic layer in the tool browser.