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drugbank-database

Query DrugBank drug properties, interactions, targets, and pathways via Python.

557|98|Updated Nov 7, 2025
Search Tags:#drug discovery#drug interactions#cheminformatics#pharmacology#drugbank#drug targets
One-click install
npx skills add https://github.com/jimmc414/Kosmos --skill drugbank-database-jimmc414
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drugbank-database
Source: https://github.com/jimmc414/Kosmos/tree/main/kosmos-claude-scientific-skills/scientific-skills/drugbank-database
Command: npx skills add https://github.com/jimmc414/Kosmos --skill drugbank-database-jimmc414

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires drugbank-downloader, bioversions, lxml, pandas, rdkit, networkx, scikit-learn, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill provides programmatic access to the comprehensive DrugBank database, enabling detailed analysis of drugs, their targets, interactions, and chemical properties, streamlining pharmaceutical research and drug discovery.

Core Features & Use Cases

  • Data Access & Queries: Download, access, and query DrugBank data for specific drug properties, chemical structures, and identifiers.
  • Interaction Analysis: Analyze drug-drug interactions (DDIs), identify potential contraindications, and assess polypharmacy risks.
  • Target & Pathway Mapping: Investigate drug targets, enzymes, transporters, and associated biological pathways for mechanism of action studies.
  • Chemical Analysis: Perform structure-based analysis, calculate physicochemical properties, and assess drug-likeness.
  • Use Case: A researcher needs to find all known interactions for a new drug candidate and identify its primary protein targets to understand potential side effects and therapeutic mechanisms.

Quick Start

Use the drugbank-database skill to find all known drug-drug interactions for the drug with DrugBank ID 'DB00001'.

Frequently Asked Questions about drugbank-database

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

FAQPage Schema
How do I analyze drug-drug interactions and identify contraindications using pharmacology data?▼

To analyze drug-drug interactions, you can query the DrugBank database to identify potential contraindications and assess polypharmacy risks for specific drugs. This process facilitates querying drug properties, interactions, and targets using Python.

How can I calculate physicochemical properties and assess drug-likeness for chemical structures?▼

You can perform structure-based chemical analysis and calculate physicochemical properties by leveraging RDKit and the DrugBank database. This allows researchers to assess drug-likeness and query specific chemical structures programmatically.

What's the best way to programmatically map drug targets and biological pathways for mechanism of action studies?▼

The best way to map drug targets and biological pathways is by querying the DrugBank database to investigate enzymes, transporters, and associated pathways. This supports mechanism of action studies by identifying primary protein targets.

Do I need a specific license or downloader to access DrugBank data for pharmaceutical research?▼

Yes, you need the drugbank-downloader Python library to download and access DrugBank data. This Skill uses dependencies like lxml and pandas to parse and query the comprehensive pharmaceutical data for drug discovery.

Can I use networkx and scikit-learn to analyze drug discovery datasets extracted from DrugBank?▼

Yes, networkx and scikit-learn are supported dependencies for analyzing DrugBank data. You can use them alongside RDKit to perform advanced cheminformatics analysis, map drug interactions, and assess chemical properties.

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