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drugcentral-query

Query DrugCentral data files for structures, targets, and approvals.

130|4|Updated Mar 13, 2026
Search Tags:#biomedical#local-data#drug-data#drug-targets#indications#drugcentral#inchikey
One-click install
npx skills add https://github.com/QSong-github/DrugClaw --skill drugcentral-query
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drugcentral-query
Source: https://github.com/QSong-github/DrugClaw/tree/main/skills/drug_knowledgebase/drugcentral
Command: npx skills add https://github.com/QSong-github/DrugClaw --skill drugcentral-query

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Retrieve DrugCentral data locally by querying with drug names, DrugCentral IDs, CAS numbers, or InChIKey prefixes to obtain structured results.

Core Features & Use Cases

  • Auto-detects input type (ID, CAS, InChIKey, or name) and pulls corresponding structures, targets, and approvals from local data files.
  • Returns structured fields for integration with RAG workflows and downstream reasoning.
  • Use case: a researcher queries "imatinib" to fetch its DrugCentral entry, including exact structures and target interactions.

Quick Start

Query DrugCentral for a drug to retrieve structures, targets, and approvals from local data.

Frequently Asked Questions about drugcentral-query

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I query DrugCentral data locally for drug structures and targets?▼

Query DrugCentral data locally by providing a drug name, DrugCentral ID, CAS number, or InChIKey prefix to retrieve structures, targets, and approvals. The Skill auto-detects the input type and returns structured hits suitable for RAG pipelines.

What input formats does DrugCentral local query support for identifying compounds?▼

DrugCentral local query supports multiple input forms including drug names, DrugCentral IDs, CAS numbers, and InChIKey prefixes. It automatically detects the input type to fetch corresponding structures, targets, and approval data.

Do I need to download DrugCentral data files before querying drug-target interactions?▼

Yes, you need DrugCentral data files under DATA_DIR, specifically structures.smiles.tsv, drug.target.interaction.tsv, and FDA+EMA+PMDA_Approved.csv. The Skill retrieves structures, targets, and approvals from these local files.

Can I use DrugCentral query results in RAG pipelines for downstream reasoning?▼

Yes, the Skill returns structured fields including entity metadata and source mappings suitable for RAG workflows. These structured hits integrate with downstream reasoning to support biomedical research and drug data analysis.

What happens if required DrugCentral data files are missing from the DATA_DIR?▼

The Skill handles missing DrugCentral data files gracefully, ensuring the query process does not crash. It retrieves structures, targets, and approvals only from the available local files under DATA_DIR.

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