Is this skill suitable for drug-drug interaction analysis?

Absolutely. It features specific capabilities for building interaction networks, classifying severity, and analyzing polypharmacy regimens for safety.

Can I calculate chemical similarity with this skill?

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

Which Python libraries are needed to use this skill?

Key requirements include drugbank-downloader, bioversions, lxml, pandas, rdkit, and networkx for comprehensive analysis.

Does this skill require a DrugBank account?

Yes, you need to create an account at go.drugbank.com to obtain credentials and accept the license agreement for data access.

DrugBank Database Analysis

Name: DrugBank Database Analysis
Author: Microck

byMicrock

•

データサイエンスとML

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

概要

This skill provides Claude with programmatic access to the DrugBank bioinformatics database, enabling advanced pharmaceutical research and data analysis. It allows users to query over 9,000 drug entries, analyze complex drug-drug interactions, identify protein targets, and perform structure-based chemical similarity searches. Ideal for pharmacologists, medicinal chemists, and data scientists, it streamlines the integration of DrugBank’s rich dataset into drug discovery workflows, polypharmacy safety studies, and mechanism of action research.

主な機能

Programmatic access to DrugBank XML data via drugbank-downloader
Detailed drug-drug interaction (DDI) network analysis and risk scoring
Automated extraction of pharmacology, ADMET, and clinical trial data
Target, enzyme, and transporter mapping for mechanism of action studies
81 GitHub stars
Chemical structure analysis including SMILES, InChI, and Tanimoto similarity

ユースケース

Clinical decision support for polypharmacy and safety analysis
In-silico drug discovery and repurposing research
Pharmacology modeling and ADMET property prediction

概要

主な機能

Programmatic access to DrugBank XML data via drugbank-downloader
Detailed drug-drug interaction (DDI) network analysis and risk scoring
Automated extraction of pharmacology, ADMET, and clinical trial data
Target, enzyme, and transporter mapping for mechanism of action studies
81 GitHub stars
Chemical structure analysis including SMILES, InChI, and Tanimoto similarity

ユースケース

Clinical decision support for polypharmacy and safety analysis
In-silico drug discovery and repurposing research
Pharmacology modeling and ADMET property prediction