// Based on a compound, get its safety info. Assess compound safety profile including toxicity, hazard classifications, and regulatory information using PubChem and PubMed.
Based on a compound, get its ADME and other properties. Assess compounds for ADME (Absorption, Distribution, Metabolism, Excretion) characteristics, chemical properties, and drug-likeness using PubChem. Use when the user wants to evaluate compound suitability as a lead candidate. Triggers include requests like "assess drug-likeness for [compound]", "evaluate ADME for [CID]", "ADME assessment", "check Lipinski rules for [compound]", "molecular properties of [drug]", or "is [compound] a good lead candidate". Accepts PubChem CIDs, compound names, SMILES, or InChI as input.
Based on a target, get its associated drugs. Identify small molecule hits for therapeutic targets by querying Open Targets and PubChem. Use when the user provides a gene symbol (e.g., EGFR, BRAF, KRAS) or protein name and wants to find known compounds, drugs, or chemical matter with activity against that target. Returns compound identifiers, names, bioactivity data, clinical trial phases, mechanism of action summaries, and supporting literature with PubMed links. Triggers include requests like "find hits for [target]", "what compounds bind [gene]", "identify drugs targeting [protein]", "small molecules for [target]", or "hit identification for [gene symbol]".
Based on a disease, identify therapeutic targets. Use this skill when users ask to find drug targets, therapeutic targets, or druggable genes for any disease or condition. Triggers include queries like "find druggable targets for [disease]", "what are therapeutic targets for [disease]", "identify drug targets for [condition]", or any request to discover targetable genes/proteins for a disease. The skill uses Open Targets Platform for disease-target associations, clinical precedence, and tractability data, combined with PubMed for supporting mechanistic evidence. Outputs a ranked table of top 10 targets with evidence summaries.
| name | safety-assessment |
| description | Based on a compound, get its safety info. Assess compound safety profile including toxicity, hazard classifications, and regulatory information using PubChem and PubMed. |
Assess compound safety via PubChem (GHS hazards, toxicity, regulatory) and PubMed (literature evidence).
Use the appropriate PubChem search tool based on input type:
PubChem:search_compounds(query="<name>")PubChem:search_by_smiles(smiles="<SMILES>")PubChem:search_by_inchi(inchi="<InChI>")PubChem:search_by_cas_number(cas_number="<CAS>")DO NOT call get_safety_data. This tool returns millions of characters of irrelevant classification hierarchies (ChEBI Ontology, patent classifications, etc.) that will exceed the context window and crash the agent. Skip this step entirely — toxicity and regulatory data from Steps 3 and 4 provide sufficient safety information.
PubChem:get_toxicity_info(cid=<CID>) — returns LD50/LC50 values, IARC/NTP carcinogenicity classifications, Ames test mutagenicity, and reproductive toxicity data.
For environmental toxicity: PubChem:assess_environmental_fate(cid=<CID>)
PubChem:get_regulatory_info(cid=<CID>) — returns FDA approval/warnings, EPA registration, REACH status, and other agency data.
PubMed:search_articles(query="<compound> toxicity", max_results=10)
Also search for: <compound> carcinogenicity, <compound> safety, <compound> adverse effects.
Get metadata for relevant PMIDs: PubMed:get_article_metadata(pmids=[...])
Cross-reference with: PubChem:get_literature_references(cid=<CID>)
Present as structured markdown with sections for GHS classification, toxicity data (acute, carcinogenicity, mutagenicity, reproductive), regulatory status, supporting literature table (PMID, title, journal, year), and a brief safety summary.