DrugBank Local Query Skill

Search local DrugBank data by any entity. Auto-detects query type:

Input Pattern	Detected As	Match Logic
DB00945	DrugBank ID	exact on drugbank_id
anything else	free text	substring on name, synonyms, cas_number

Data

• Base dir: resources_metadata/drug_knowledgebase/DrugBank/
• Files:
  • full database.xml — rich fields: description, targets, interactions, categories, synonyms, groups
  • drugbank vocabulary.csv — lightweight: DrugBank ID, name, CAS, synonyms
• Auto-select: prefers XML if present, falls back to vocabulary CSV

API

Function	Input	Returns
load(path)	file path (XML or TSV/CSV, auto-detected)	list[dict]
search(data, entity)	single entity string	list[dict]
search_batch(data, entities)	list or comma-separated string	dict[str, list[dict]]
summarize(hits, entity)	hit list + label	compact text
to_json(hits)	hit list	JSON string

Usage

from 07_DrugBank import load, search, search_batch, summarize, to_json

data = load()                              # auto-selects XML or CSV

# single query
hits = search(data, "aspirin")
print(summarize(hits, "aspirin"))

# batch query
results = search_batch(data, ["metformin", "DB00316", "ibuprofen"])
for entity, hits in results.items():
    print(summarize(hits, entity))

# JSON output
print(to_json(hits[:1]))

See if __name__ == "__main__" block in 07_DrugBank.py for runnable examples.