Does it support chemical similarity searches?

Yes, it integrates with RDKit to calculate Tanimoto similarity, generate molecular fingerprints, and perform substructure searches for lead compound identification.

What data does this skill provide access to?

It provides access to nearly 10,000 drug entries including FDA-approved drugs, biotech products, and experimental compounds, covering chemical properties, targets, and interactions.

Can this skill predict drug-drug interactions?

Yes, it can extract known interactions from the database and perform network analysis to assess severity and mechanisms of potential drug-drug interactions.

Do I need a DrugBank account to use this?

Yes, you must create a free account at go.drugbank.com and obtain credentials to download the database via the drugbank-downloader package.

DrugBank Database Analyst

Name: DrugBank Database Analyst
Author: Activer007

byActiver007

Data Science & ML

Accesses and analyzes comprehensive pharmaceutical data from DrugBank for drug discovery, interaction analysis, and pharmacological research.

About

This skill provides a robust interface for querying the DrugBank database, enabling users to programmatically extract detailed drug properties, chemical structures, and biological targets. It streamlines workflows for pharmaceutical researchers and data scientists by offering specialized tools for drug-drug interaction analysis, pathway mapping, and chemical similarity searches. Whether you're conducting drug repurposing studies or building clinical decision support systems, this skill integrates seamlessly with Python-based bioinformatics tools like RDKit and NetworkX to deliver actionable pharmaceutical insights directly within your development environment.

Key Features

Automated database downloading and secure credential management
Comprehensive drug property and chemical structure extraction (SMILES, InChI)
0 GitHub stars
Chemical similarity searches and ADMET property predictions
Advanced drug-drug interaction (DDI) analysis and network visualization
Target identification and biological pathway mapping (SMPDB, UniProt)

Use Cases

Building automated pipelines for drug-likeness assessment and QSAR modeling
Conducting drug repurposing research by identifying shared protein targets and chemical similarities
Performing polypharmacy safety audits to predict and classify potential drug-drug interactions

About

Key Features

Automated database downloading and secure credential management
Comprehensive drug property and chemical structure extraction (SMILES, InChI)
0 GitHub stars
Chemical similarity searches and ADMET property predictions
Advanced drug-drug interaction (DDI) analysis and network visualization
Target identification and biological pathway mapping (SMPDB, UniProt)

Use Cases

Building automated pipelines for drug-likeness assessment and QSAR modeling
Conducting drug repurposing research by identifying shared protein targets and chemical similarities
Performing polypharmacy safety audits to predict and classify potential drug-drug interactions