Generates comprehensive drug research reports with compound disambiguation, evidence grading, and mandatory completeness sections. Covers identity, chemistry, pharmacology, targets, clinical trials, safety, pharmacogenomics, and ADMET properties. Use when users ask about drugs, medications, therapeutics, or need drug profiling, safety assessment, or clinical development research.
Comprehensive drug investigation using 50+ ToolUniverse tools across chemical databases, clinical trials, adverse events, pharmacogenomics, and literature.
For detailed tool chains, output templates, and validation guidance, see references/tool-reference.md.
Step 1: Create report file ([DRUG]_drug_report.md) with all 11 section headers
Step 2: Resolve compound identifiers -> Update Section 1 (Identity)
Step 3: Retrieve FDA label core fields (mechanism, PK, safety, PGx)
Step 4: Query PubChem / ADMET-AI / DailyMed -> Update Section 2 (Chemistry)
Step 5: Query FDA Label MOA + ChEMBL + DGIdb -> Update Section 3 (Mechanism & Targets)
Step 6: Query ADMET-AI tools (fallback: DailyMed PK) -> Update Section 4 (ADMET)
Step 7: Query ClinicalTrials.gov -> Update Section 5 (Clinical Development)
Step 8: Query FAERS / DailyMed -> Update Section 6 (Safety)
Step 9: Query PharmGKB (fallback: DailyMed PGx) -> Update Section 7 (Pharmacogenomics)
Step 10: Query DailyMed / Orange Book -> Update Section 8 (Regulatory)
Step 11: Query PubMed / literature -> Update Section 9 (Literature)
Step 12: Synthesize findings -> Update Executive Summary & Section 10 (Conclusions)
Step 13: Document all sources, run completeness audit -> Update Section 11
The agent produces an 11-section report in [DRUG]_drug_report.md:
| Section | Content |
|---|---|
| Executive Summary | High-level drug profile overview |
| 1. Compound Identity | Database IDs, SMILES, formula, synonyms |
| 2. Chemical Properties | Physicochemical profile, drug-likeness, solubility, salt forms |
| 3. Mechanism & Targets | FDA label MOA, primary targets with UniProt IDs, selectivity |
| 4. ADMET Properties | Absorption, distribution, metabolism, excretion, toxicity |
| 5. Clinical Development | Phase counts, trial landscape, approved/investigational indications, biomarkers |
| 6. Safety Profile | FAERS data, black box warnings, DDIs, drug-food interactions, dose modifications |
| 7. Pharmacogenomics | Pharmacogenes, CPIC/DPWG guidelines, clinical annotations |
| 8. Regulatory & Labeling | Approval status, patents, exclusivity, special populations, timeline |
| 9. Literature & Research | Publication metrics, research themes, real-world evidence |
| 10. Conclusions | Scorecard, strengths, concerns, research gaps, comparative analysis |
| 11. Data Sources | Tool call summary, completeness audit, quality control metrics |
Each section must be comprehensive and detailed:
The agent attributes every data block to its source:
*Source: PubChem via `PubChem_get_compound_properties_by_CID` (CID: 4091)*
Section-level source summaries appear at the end of each section:
---
**Data Sources for this section:**
- PubChem: `PubChem_get_compound_properties_by_CID` (CID: 4091)
- ChEMBL: `ChEMBL_get_bioactivity_by_chemblid` (CHEMBL1431)
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ChEMBL_get_molecule_targets — it returns unfiltered, irrelevant results. The agent derives targets from ChEMBL_search_activities instead, filtering to pChEMBL >= 6.0.| Scenario | Focus |
|---|---|
| Approved drug profile ("Tell me about metformin") | Full 11-section report emphasizing clinical data, FAERS, PGx |
| Investigational compound ("What do we know about compound X?") | Preclinical data, mechanism, early trials; safety sections may be sparse |
| Safety review ("What are the safety concerns with drug Y?") | Deep dive on FAERS, black box warnings, interactions, PGx |
| ADMET assessment ("Evaluate this compound's drug-likeness") | Focus on Sections 2 and 4; other sections may be brief |
| Clinical development landscape ("What trials are ongoing for drug Z?") | Heavy emphasis on Section 5 with trial tables |