mecddi-query

name

mecddi-query

description

Query the MecDDI mechanism-based drug-drug interaction database. Use whenever the user asks about drug-drug interactions, DDI mechanisms (PK/PD), enzyme or transporter-mediated interactions, or wants to look up interacting drug pairs by drug name or MecDDI drug ID. Trigger on keywords like DDI, drug interaction, MecDDI, mechanism-based interaction, pharmacokinetic interaction, pharmacodynamic interaction, or any query involving two drugs that may interact.

MecDDI Query Skill

Search MecDDI drug-drug interaction records by drug name or drug ID. Auto-detects input type:

Input Pattern	Detected As	Match Logic
D0123	MecDDI Drug ID	exact on A_Drug_ID / B_Drug_ID
anything else	free text	substring on A_Drug_Name / B_Drug_Name

Mechanism Categories (7 files)

Category	Type
Affected Gastrointestinal Absorption	PK
Affected Cellular Transport	PK
Affected Organization Distribution	PK
Affected Intra/Extra-Hepatic Metabolism	PK
Affected Excretion Pathways	PK
Pharmacodynamic Additive Effects	PD
Pharmacodynamic Antagonistic Effects	PD

API

Function	Input	Returns
load_mecddi(data_dir)	directory path	list[dict] (all records)
search(records, entity)	single entity string	list[dict]
search_batch(records, entities)	list of strings	dict[str, list[dict]]
summarize(hits, entity)	hits + label	compact text for LLM
to_json(hits)	list[dict]	JSON string

Data

• Source: 7 TSV files downloaded from https://mecddi.idrblab.net/download
• Path: DATA_DIR variable in 19_MecDDI.py (default: resources_metadata/ddi/MecDDI)
• Columns: A_Drug_ID, A_Drug_Name, B_Drug_ID, B_Drug_Name, Mechanism_Category

Usage

See if __name__ == "__main__" block in 19_MecDDI.py for runnable examples covering:

1. Single drug name → search(data, "Atropine")
2. Single drug ID → search(data, "D0123")
3. Batch query → search_batch(data, ["Meclizine", "Isocarboxazid", "D0853"])
4. JSON output → to_json(hits)
5. LLM-friendly summary → summarize(hits, entity)