Does it support drug-drug interaction (DDI) analysis?

Absolutely. It provides tools to extract interaction data, classify severity, and build bidirectional interaction networks for safety analysis.

How does the skill handle different database versions?

The skill allows you to specify exact DrugBank versions during the download process, ensuring that your research and analysis are reproducible.

Can this skill perform chemical similarity searches?

Yes, the skill utilizes RDKit to calculate Tanimoto similarity and generate molecular fingerprints (like Morgan or MACCS) for structural comparisons.

Do I need a DrugBank account to use this skill?

Yes, you must create an account at go.drugbank.com and accept their license agreement to obtain the username and password required for data access.

DrugBank Database Explorer

Name: DrugBank Database Explorer
Author: plurigrid

byplurigrid

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Data Science & ML

Accesses and analyzes comprehensive pharmaceutical data from DrugBank for drug discovery, pharmacology research, and chemical informatics.

The DrugBank Database skill provides programmatic access to a massive bioinformatics and cheminformatics repository containing detailed information on nearly 10,000 drugs and their targets. It streamlines complex pharmaceutical research tasks such as analyzing drug-drug interactions, identifying drug-protein targets, and mapping metabolic pathways. By integrating chemical informatics tools like RDKit, the skill enables users to perform structural similarity searches, calculate molecular properties, and conduct ADMET predictions. It is an essential resource for researchers and developers building clinical decision-support systems, pharmacovigilance tools, or drug repurposing pipelines.

Key Features

01Chemical structure analysis including Tanimoto similarity and fingerprints

02Comprehensive drug-drug interaction (DDI) analysis and risk scoring

038 GitHub stars

04Programmatic access to ~9,591 drug entries and 200+ data fields

05Detailed drug-protein target, enzyme, and transporter mapping

06Automated database downloading and version-controlled parsing

Use Cases

01Identifying drug repurposing candidates through target and structural similarity mapping

02Building safety analysis tools to identify contraindications in polypharmacy regimens

03Conducting ADMET and QSAR studies for early-stage pharmaceutical research

What are Skills?·How to Install

Install with 🐟 Skill.Fish

npx skillfish add plurigrid/asi drugbank-database

For use in Claude.ai and ChatGPT

Download Skill