gabrielmoreira DrugComb Query Skill
Search DrugComb summary records by any entity. Auto-detects type by pattern:
| Input Pattern | Detected As | Match Logic |
|---|---|---|
5-FU / imatinib |
drug name | case-insensitive substring on drug_row OR drug_col |
A549 / MCF-7 |
cell line | case-insensitive substring on cell_line_name |
12345 (pure digits) |
block_id | exact on block_id |
CID:2244 |
PubChem CID | exact on drug_row_cid OR drug_col_cid |
API
| Function | Input | Returns |
|---|---|---|
load_drugcomb(path) |
CSV path | list[dict] |
columns(data) |
loaded data | column name list |
search(data, entity) |
single entity string | list[dict] |
search_batch(data, entities) |
list of entity strings | dict[str, list[dict]] |
summarize(hits, entity) |
hit list + label | compact LLM-readable text |
to_json(hits) |
hit list | list[dict] |
Usage
See if __name__ == "__main__" block in example.py for runnable examples covering: drug name search, cell-line search, batch search, and JSON output.
Data
- Source: DrugComb normalized full-package output
- Key columns:
drug_row,drug_col,cell_line_name,synergy_zip,synergy_bliss - Path:
resources_metadata/drug_combination/DrugComb/drugcomb.csv
Citation
Zagidullin B, Aldahdooh J, Zheng S, et al. DrugComb: an integrative cancer drug combination data portal. Nucleic Acids Res. 2019;47(W1):W43–W51. doi:10.1093/nar/gkz337