How does it handle large database files?

The skill provides optimized parsing strategies using the lxml library and data caching methods to ensure efficient handling of large XML datasets without exhausting system memory.

Does this skill provide the DrugBank data itself?

No, it provides the tools and implementation patterns to programmatically download and parse the database using your own DrugBank credentials.

Is a DrugBank account required?

Yes, you need a valid account from go.drugbank.com to obtain credentials for data access. DrugBank is generally free for academic and non-commercial use.

Can I use this for chemical structure analysis?

Yes, the skill includes specific workflows for RDKit integration to perform similarity searches, molecular fingerprinting, and ADMET predictions.

DrugBank Database Analysis

Name: DrugBank Database Analysis
Author: x-cmd

byx-cmd

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データサイエンスとML

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

概要

This skill provides a robust framework for programmatic interaction with the DrugBank database, enabling researchers and developers to extract detailed information on over 9,500 drug entries. It streamlines the entire workflow from secure data acquisition and XML parsing to advanced analyses like drug-drug interaction (DDI) networking, target identification, and chemical similarity searches using RDKit. Whether you're conducting pharmacovigilance research or early-stage drug discovery, this skill provides the specialized patterns and best practices needed to handle complex bioinformatics data within Claude Code.

主な機能

8 GitHub stars
Automated DrugBank data downloading and XML parsing with optimized lxml support
Secure credential management and database versioning for reproducible research
Advanced chemical similarity searches and ADMET property prediction using RDKit
Mapping of drug-target interactions, metabolic enzymes, and biological pathways
Comprehensive drug-drug interaction (DDI) analysis and network risk scoring

ユースケース

Safety analysis for polypharmacy regimens and clinical decision support
In-silico drug repurposing studies based on shared targets and structural similarity
Automated generation of pharmacological profiles and chemical space exploration

概要

主な機能

8 GitHub stars
Automated DrugBank data downloading and XML parsing with optimized lxml support
Secure credential management and database versioning for reproducible research
Advanced chemical similarity searches and ADMET property prediction using RDKit
Mapping of drug-target interactions, metabolic enzymes, and biological pathways
Comprehensive drug-drug interaction (DDI) analysis and network risk scoring

ユースケース

Safety analysis for polypharmacy regimens and clinical decision support
In-silico drug repurposing studies based on shared targets and structural similarity
Automated generation of pharmacological profiles and chemical space exploration