Can this skill perform chemical similarity searches?

Yes, it provides implementation guidance for using RDKit to calculate Tanimoto similarity, generate molecular fingerprints, and perform substructure searches.

What programming tools are supported by this skill?

This skill focuses on Python-based workflows utilizing libraries such as drugbank-downloader, pandas, RDKit, networkx, and lxml.

What is the primary function of the drugbank-database skill?

It enables Claude to programmatically access, parse, and analyze the DrugBank database for research into drug properties, interactions, and biological targets.

Do I need a DrugBank account to use this skill?

Yes, users must create a free account at go.drugbank.com to obtain credentials and accept the license terms required for data access.

Is this skill suitable for clinical decision making?

No, this skill is designed for academic research and educational purposes. Always consult a medical professional for clinical drug interaction assessments.

DrugBank Database Analysis

Name: DrugBank Database Analysis
Author: Microck

byMicrock

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데이터 과학 및 ML

Accesses and analyzes comprehensive pharmaceutical data from the DrugBank database for drug discovery, pharmacology, and interaction research.

소개

This skill provides Claude with specialized capabilities to programmatically interact with the DrugBank database, enabling deep analysis of pharmaceutical compounds, drug-drug interactions, and biological targets. It streamlines the process of downloading datasets, querying specific drug properties, mapping metabolic pathways, and performing chemical similarity searches using industry-standard tools like RDKit and pandas. This skill is an essential resource for bioinformaticians and researchers performing drug repurposing studies, safety analyses, or chemical space exploration.

주요 기능

Chemical similarity searches and ADMET property predictions using molecular fingerprints
Detailed extraction of drug properties, chemical structures, and pharmacology data
Programmatic access and automated downloading of DrugBank XML datasets
81 GitHub stars
Identification of drug-protein interactions, metabolic enzymes, and biological pathways
Comprehensive drug-drug interaction (DDI) analysis and network mapping

사용 사례

Building custom pharmaceutical datasets for machine learning or bioinformatics pipelines
Identifying potential drug repurposing candidates through target and structural similarity analysis
Automating drug-drug interaction safety checks for polypharmacy clinical research

소개

주요 기능

Chemical similarity searches and ADMET property predictions using molecular fingerprints
Detailed extraction of drug properties, chemical structures, and pharmacology data
Programmatic access and automated downloading of DrugBank XML datasets
81 GitHub stars
Identification of drug-protein interactions, metabolic enzymes, and biological pathways
Comprehensive drug-drug interaction (DDI) analysis and network mapping

사용 사례

Building custom pharmaceutical datasets for machine learning or bioinformatics pipelines
Identifying potential drug repurposing candidates through target and structural similarity analysis
Automating drug-drug interaction safety checks for polypharmacy clinical research