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LogauaEngstrom
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drugbank-database

Query DrugBank data by ID, name, and CAS to retrieve drug properties, interactions, targets, and pathways.

18|1|Updated Dec 27, 2025
Search Tags:#cheminformatics#pharmacology#drugbank#drug-interactions#drug-data#targets-pathways
One-click install
npx skills add https://github.com/LogauaEngstrom/claude-scientific-skills --skill drugbank-database-logauaengstrom
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drugbank-database
Source: https://github.com/LogauaEngstrom/claude-scientific-skills/tree/main/scientific-skills/drugbank-database
Command: npx skills add https://github.com/LogauaEngstrom/claude-scientific-skills --skill drugbank-database-logauaengstrom

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes scripts (resource) and references (resource) components.

What problem does it solve?

This skill provides programmatic access to DrugBank data, enabling querying by DrugBank ID, name, CAS, and retrieval of detailed drug properties, interactions, targets, and pathways, reducing manual lookups and enabling reproducible analyses.

Core Features & Use Cases

  • Data Access & Authentication: download, parse, and cache DrugBank data; manage credentials securely; handle XML namespaces for robust parsing.
  • Drug Information Queries: search by DrugBank ID, name, CAS; extract identifiers, chemical properties, pharmacology, indications, and external cross-references.
  • Drug-Drug Interactions & Targets: analyze DDIs, map targets and pathways, and cross-reference with UniProt, KEGG, and other resources for context and repurposing insights.
  • Chemical Properties & Similarity: obtain SMILES/InChI, compute descriptors, and assess structural similarity across drug sets.
  • Use Case: Build a reproducible drug knowledge dataset for a project, then filter for FDA-approved small molecules and potential off-target effects.

Quick Start

Query a DrugBank entry by ID (e.g., DB00001) to retrieve its basic information.

Frequently Asked Questions about drugbank-database

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

FAQPage Schema
How do I retrieve drug properties and interactions from DrugBank XML programmatically?▼

To retrieve DrugBank properties and interactions, you can parse the XML data with proper namespace handling and query by DrugBank ID, name, or CAS to extract detailed pharmacology and targets.

Can I analyze drug-drug interactions and map targets to pathways using DrugBank data?▼

You can analyze drug-drug interactions and map targets to pathways by cross-referencing extracted DrugBank data with external resources like UniProt and KEGG for context and repurposing insights.

How do I compute chemical similarity across a drug set using SMILES and InChI?▼

You can obtain SMILES and InChI strings from parsed DrugBank entries, compute chemical descriptors, and assess structural similarity across large drug sets for cheminformatics analysis.

Does this approach require credentials to access and cache DrugBank data for reproducible analysis?▼

Accessing and caching DrugBank data requires managing credentials securely to download the XML, ensuring your pharmacology research and drug discovery analysis remains reproducible across datasets.

What is the best way to filter FDA-approved small molecules and identify off-target effects in a drug dataset?▼

The best way to filter FDA-approved small molecules and identify potential off-target effects is to build a reproducible drug knowledge dataset from parsed DrugBank XML containing properties and interactions.

Are there limitations when parsing DrugBank XML namespaces for robust data extraction?▼

Parsing DrugBank XML requires proper namespace handling to ensure robust data extraction, as failing to manage namespaces correctly can prevent retrieving comprehensive drug details and cross-references.

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