Do I need a separate DrugBank account to use this skill?

Yes, you must create an account at go.drugbank.com and obtain credentials to download the database, as the skill facilitates access to their licensed data.

Can this skill help with drug-drug interaction safety checks?

Yes, the skill provides specific tools for building interaction networks, classifying interaction severity, and calculating risk scores for polypharmacy regimens.

How does the skill handle chemical similarity searches?

It integrates with RDKit to calculate Tanimoto similarity, generate molecular fingerprints, and perform substructure searches using SMILES or InChI identifiers.

What information can I retrieve using the DrugBank skill?

You can access data for over 9,000 drug entries, including molecular structures, pharmacodynamics, mechanism of action, drug targets, and 200+ other data fields.

Is the DrugBank data stored locally or accessed via API?

The skill primarily guides you through downloading and parsing the DrugBank XML database locally using the drugbank-downloader package for efficient, high-volume analysis.

DrugBank Database Integration

Name: DrugBank Database Integration
Author: Sologa

bySologa

0•

データサイエンスとML

Accesses and analyzes comprehensive pharmaceutical data, including drug properties, interactions, molecular targets, and chemical structures from DrugBank.

The DrugBank Database skill enables researchers and developers to programmatically query one of the world's most comprehensive bioinformatics resources. It provides specialized capabilities for extracting detailed drug profiles, analyzing complex drug-drug interaction networks, mapping protein targets, and exploring biological pathways. Designed for pharmaceutical research, clinical decision support, and drug discovery, this skill streamlines the process of downloading, parsing, and analyzing high-fidelity chemical and pharmacological data within an AI-assisted workflow.

主な機能

01Advanced drug-drug interaction (DDI) analysis and network mapping

02Automated database management and XML parsing via drugbank-downloader

03Comprehensive drug metadata retrieval (chemical properties, pharmacology, and clinical data)

04Chemical similarity searching using RDKit fingerprints and Tanimoto scores

050 GitHub stars

06Detailed target identification, including enzymes, transporters, and carrier proteins

ユースケース

01Drug repurposing studies through target identification and shared pathway mapping

02ADMET prediction and structure-activity relationship (SAR) modeling for drug discovery

03Pharmacovigilance research and polypharmacy safety analysis for clinical support

What are Skills?·How to Install

Install with 🐟 Skill.Fish

npx skillfish add sologa/codex-pipeline drugbank-database

For use in Claude.ai and ChatGPT

Download Skill