drugbank-database

Extract and analyze DrugBank drug, target, pathway, and interaction data from XML.

21|2|Updated Dec 8, 2025
One-click install
npx skills add https://github.com/silverstein/claude-scientific-skills-desktop --skill drugbank-database-silverstein
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: drugbank-database
Source: https://github.com/silverstein/claude-scientific-skills-desktop/tree/main/corpus/drugbank-database
Command: npx skills add https://github.com/silverstein/claude-scientific-skills-desktop --skill drugbank-database-silverstein

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) components.

What problem does it solve?

Drug discovery teams need fast, reliable access to rich drug facts—identifiers, structures, pharmacology, targets, pathways, and drug-drug interactions—without repeatedly reworking parsing and lookup logic.

Core Features & Use Cases

  • Drug information retrieval: Look up drug entries by DrugBank ID, name, or CAS and extract pharmacology fields, indications, and chemical properties.
  • Drug-drug interaction analysis: Pull known interactions for a drug and support combination safety review and interaction-network style analysis.
  • Targets, pathways, and chemical similarity: Extract target/protein details, pathway mappings, and structure-based similarity and substructure screening guidance (SMILES/InChI-derived workflows).

Use case examples:

  • Identify targets and mechanisms for a candidate compound to support hypothesis generation.
  • Evaluate polypharmacy risk by extracting interaction partners for multiple drugs and summarizing overlap.
  • Perform chemical similarity triage using SMILES + RDKit-style fingerprints and similarity thresholds.

Quick Start

Ask the AI to read the DrugBank skill documentation and guide you through downloading and authenticating your DrugBank dataset.

Frequently Asked Questions about drugbank-database

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

FAQPage Schema
How do I parse DrugBank XML data to extract drug identifiers and pharmacology fields?

To parse DrugBank XML data, you need to handle XML namespaces and apply structured parsing logic that retrieves drug identifiers, calculated properties, and pharmacology fields. This approach extracts drug entries by DrugBank ID, name, or CAS.

How do I look up drug-drug interactions in DrugBank for polypharmacy risk evaluation?

You look up drug-drug interactions by pulling known interaction partners for specific drugs and extracting interaction descriptions. This supports combination safety reviews and interaction-network analysis by summarizing overlapping interactions across multiple medications.

Can I extract protein targets and pathway mappings from a DrugBank dataset?

Yes, you extract protein target details and pathway mappings directly from the DrugBank dataset. The parsing logic retrieves target/protein specifics and pathway mappings to help identify mechanisms and support hypothesis generation for candidate compounds.

Do I need an authenticated DrugBank dataset to perform chemical similarity screening?

Yes, an authenticated DrugBank dataset is required. You use the downloaded data to perform chemical similarity triage by extracting SMILES and InChI-derived information, then apply structure-based similarity thresholds and substructure screening workflows.

What is the best way to retrieve calculated and experimental chemical properties for drug profiling?

The best way to retrieve chemical properties is using structured DrugBank XML parsing that targets calculated and experimental property nodes. This extracts pharmacology fields, chemical properties, and indications to build comprehensive drug profiles.

Why does my DrugBank XML parsing fail when extracting target details?

DrugBank XML parsing fails when XML namespaces are not handled correctly. You must implement parsing logic that accounts for the specific XML namespace structure to accurately retrieve protein target details, identifiers, and interaction descriptions.