What data can I access with the DrugBank skill?

You can access comprehensive drug identifiers, chemical structures, pharmacology data, drug-drug interactions, protein targets, enzymes, and biological pathways.

Does this skill require a DrugBank account?

Yes, you need to create a free account at go.drugbank.com to obtain the necessary credentials for downloading the database files.

How does it handle large DrugBank XML files?

It utilizes optimized XML parsing with the lxml library and implements caching strategies to ensure efficient data retrieval without repeated downloading.

Can it perform chemical similarity searches?

Yes, the skill provides guidance on using RDKit to calculate Tanimoto similarity, generate molecular fingerprints, and perform substructure searches.

DrugBank Database Integration

Name: DrugBank Database Integration
Author: ricable

byricable

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Data Science & ML

Provides programmatic access and analysis of comprehensive pharmaceutical data from the DrugBank database for drug discovery and pharmacology research.

About

This skill enables Claude to interact with the DrugBank bioinformatics and cheminformatics database to retrieve detailed information on nearly 10,000 drug entries, including FDA-approved small molecules, biotech drugs, and experimental compounds. It facilitates complex workflows such as drug-drug interaction analysis, target identification, pathway mapping, and chemical similarity searches. By providing structured guidance on using tools like drugbank-downloader and RDKit, it allows researchers and developers to perform high-level pharmacological studies, safety screenings, and drug repurposing analysis directly within their AI-powered development environment.

Key Features

Detailed drug-drug interaction (DDI) network analysis
Mapping of drug-protein interactions, enzymes, and transporters
Chemical structure analysis including SMILES, InChI, and similarity searches
1 GitHub stars
Automated database downloading and optimized XML parsing workflows
Programmatic access to 9,500+ drug entries and 200+ data fields

Use Cases

Lead optimization and drug repurposing research
Pharmacology studies and mechanism of action identification
Polypharmacy safety analysis and clinical decision support

About

Key Features

Detailed drug-drug interaction (DDI) network analysis
Mapping of drug-protein interactions, enzymes, and transporters
Chemical structure analysis including SMILES, InChI, and similarity searches
1 GitHub stars
Automated database downloading and optimized XML parsing workflows
Programmatic access to 9,500+ drug entries and 200+ data fields

Use Cases

Lead optimization and drug repurposing research
Pharmacology studies and mechanism of action identification
Polypharmacy safety analysis and clinical decision support