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drugbank-database

Access and analyze DrugBank data to extract drug properties and interactions.

52|6|Updated Nov 24, 2025
Search Tags:#SMILES#pathways#targets#ADMET#DDI#pharmacology#drugbank
One-click install
npx skills add https://github.com/ovachiever/droid-tings --skill drugbank-database
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drugbank-database
Source: https://github.com/ovachiever/droid-tings/tree/main/skills/drugbank-database
Command: npx skills add https://github.com/ovachiever/droid-tings --skill drugbank-database

SYSTEM DOCUMENTATION & REQUIREMENTS

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

What problem does it solve?

This Skill enables programmatic access to DrugBank data for drug entries, targets, interactions, chemical properties, and pharmacology, facilitating data-driven drug discovery, pharmacology research, and DDIs analysis.

Core Features & Use Cases

  • Access drug entries, identifiers, chemical properties, pharmacology, and targets
  • Drug-Drug Interactions (DDI) analysis and networks
  • Target and pathway mapping, chemical similarity and ADMET considerations
  • Build drug datasets, export to DataFrames, and perform SAR studies

Quick Start

Retrieve DrugBank data, inspect a drug’s SMILES and targets, and analyze potential interactions in your dataset.

Frequently Asked Questions about drugbank-database

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

FAQPage Schema
How do I access and query DrugBank data programmatically?▼

This Skill provides programmatic access to DrugBank data through Python tooling, enabling you to retrieve drug entries, chemical properties, targets, and interactions by DrugBank ID, name, CAS number, or keywords. Data exports to DataFrames for downstream analysis.

Can I analyze drug-drug interactions and build interaction networks from DrugBank?▼

Yes. This Skill extracts DDI data from DrugBank and supports network analysis through networkx integration, enabling you to map interactions, identify high-risk combinations, and visualize drug relationship graphs.

What chemical properties and ADMET data can I extract from DrugBank?▼

The Skill extracts 200+ data fields including SMILES strings, molecular descriptors, ADMET properties, targets, pathways, and pharmacology information, supporting chemical similarity searches and structure-activity relationship (SAR) studies via rdkit.

How do I set up credential handling and data caching for DrugBank access?▼

This Skill handles credential management and implements data caching through XML parsing and structured extraction, reducing redundant queries and streamlining repeated DrugBank lookups in your workflow.

Can I use this Skill for target identification and pathway mapping?▼

Yes. The Skill maps drug targets and associated pathways from DrugBank, supporting drug discovery workflows that require target validation, pathway analysis, and off-target effect prediction.

What are the input requirements and dependencies for working with DrugBank data?▼

The Skill depends on drugbank-downloader, rdkit, pandas, numpy, lxml, networkx, and scikit-learn. You need DrugBank access credentials and Python 3 to parse XML, manipulate chemistry data, and perform statistical analysis.

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