Screen 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.
Paramus — Excipient Compatibility Screen
Overview
Rank candidate excipients by compatibility risk against an active ingredient, flagging known problematic pairings. The value is the active×excipient triage, not a single reactivity lookup.
Guidance vs execution: reactivity, property, and known-interaction data come from tested Paramus tools. Treat outputs as screening signals to prioritize lab confirmation.
When to Use
- Selecting excipients that won't react with or destabilize an active
- Narrowing an excipient longlist before compatibility studies Do not use for: full formulation optimization (use property optimization) or regulatory filings.
Workflow
Active ingredient + candidate excipients + dosage form
↓ 1. Characterize active reactivity → functional groups, sensitivities
↓ 2. Screen each excipient pairing → chemical + physical incompatibility
↓ 3. Check known-interaction data → literature/knowledge-graph flags
↓ 4. Rank by compatibility risk → low / medium / high
↓ 5. Emit ranked shortlist → recommended excipients + provenance
Procedure
- Discover tools via
search/get_schema("compatibility", "reactivity", "excipient", "interaction"). - Characterize the active's reactive groups and physical sensitivities.
- Screen each active–excipient pairing for chemical and physical risk.
- Cross-check known problematic pairings from datasets/knowledge graph.
- Rank excipients by compatibility risk with rationale.
- Emit a ranked shortlist with provenance and confidence.
Domain Judgment
- Consider both chemical (reaction) and physical (moisture, polymorph) incompatibility.
- Known-pairing evidence outweighs prediction — cite the source when flagging.
- Present a shortlist with reasons, not a single "safe" pick — lab confirmation still required.
Fallbacks
- Reactivity/knowledge tool unavailable → deliver a manual functional-group compatibility checklist, clearly scoped.
- Endpoint unreachable → stop and report; do not fabricate compatibility rankings.
Tools this skill may use
Candidate deterministic tools an agent is likely to route to when running this skill. The skill decides which to call at runtime.
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Calculate Similarity
Molecular ChemistryCalculate Tanimoto similarity between two molecules -
Count Functional Groups
Molecular ChemistryIdentifying functional groups to predict reactivity and properties. -
Cloud Rowan Descriptors
Quantum ChemistryCompute molecular descriptors (electronic, geometric, ADMET-relevant) for a molecule. -
Brain HPC Openbabel Similarity
Molecular ChemistryCalculate molecular similarity between two structures.
Browse the full deterministic layer in the tool browser.
Used in these use cases
Customer scenarios that orchestrate this skill end-to-end.