| name | unitox-query |
| description | Query the UniTox drug toxicity database. Use whenever the user asks about organ-system toxicity ratings for a drug, multi-organ toxicity profiles, or wants to look up any entity (drug name, SMILES, SPL_ID) in UniTox.
|
UniTox Query Skill
Search UniTox records by any entity. Auto-detects type by pattern:
| Input Pattern | Detected As | Match Logic |
|---|
b2b3be70-17d8-... (UUID) | SPL_ID | exact on SPL_ID |
long string with =, [, ], @ | SMILES | exact on smiles / all_smiles |
| anything else | free text | case-insensitive substring on generic_name |
API
| Function | Input | Returns |
|---|
load_unitox(path) | TSV path | list[dict] (cached) |
search(entity) | single entity string | list[dict] |
search_batch(entities) | list of entity strings | dict[str, list[dict]] |
summarize(hits, entity) | hits + label | compact ratings-only text |
summarize_with_reasoning(hits, entity, systems) | hits + label + organ list | text with truncated reasoning |
to_json(hits) | hits | list[dict] (ratings + metadata) |
list_drugs() | – | sorted list of all drug names |
Toxicity Systems (8 organs)
Each drug has ternary rating (No / Low / High) and binary rating (Yes / No) for:
| System key | Organ |
|---|
cardiotoxicity | Heart |
dermatological_toxicity | Skin |
hematological | Blood |
infertility | Reproductive |
liver_toxicity | Liver |
ototoxicity | Ear / Hearing |
pulmonary_toxicity | Lung |
renal_toxicity | Kidney |
Usage
See if __name__ == "__main__" block in 28_UniTox.py for runnable examples covering: single drug name search, batch search, JSON output, detailed reasoning for specific organ systems, and total drug count.
Data
- Source: UniTox v1 from Zenodo (https://zenodo.org/records/11627822)
- Paper: https://doi.org/10.1101/2024.06.21.24309315
- Format: CSV or TSV (delimiter auto-detected from header line)
- Columns:
generic_name, 8 × (*_reasoning, *_ternary_rating, *_binary_rating), smiles, all_smiles, SPL_ID
- Path:
DATA_PATH variable in 28_UniTox.py
- Method: GPT-4o extraction from FDA drug labels; 85–96% clinician concordance
