Do I need a separate DrugBank account to use this skill?

Yes, you must create an account at go.drugbank.com and obtain credentials to download the database, as the skill facilitates access to their licensed data.

Can this skill help with drug-drug interaction safety checks?

Yes, the skill provides specific tools for building interaction networks, classifying interaction severity, and calculating risk scores for polypharmacy regimens.

How does the skill handle chemical similarity searches?

It integrates with RDKit to calculate Tanimoto similarity, generate molecular fingerprints, and perform substructure searches using SMILES or InChI identifiers.

What information can I retrieve using the DrugBank skill?

You can access data for over 9,000 drug entries, including molecular structures, pharmacodynamics, mechanism of action, drug targets, and 200+ other data fields.

Is the DrugBank data stored locally or accessed via API?

The skill primarily guides you through downloading and parsing the DrugBank XML database locally using the drugbank-downloader package for efficient, high-volume analysis.

DrugBank Database Integration

Name: DrugBank Database Integration
Author: Sologa

bySologa

Data Science & ML

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

About

The DrugBank Database skill enables researchers and developers to programmatically query one of the world's most comprehensive bioinformatics resources. It provides specialized capabilities for extracting detailed drug profiles, analyzing complex drug-drug interaction networks, mapping protein targets, and exploring biological pathways. Designed for pharmaceutical research, clinical decision support, and drug discovery, this skill streamlines the process of downloading, parsing, and analyzing high-fidelity chemical and pharmacological data within an AI-assisted workflow.

Key Features

Advanced drug-drug interaction (DDI) analysis and network mapping
Automated database management and XML parsing via drugbank-downloader
Comprehensive drug metadata retrieval (chemical properties, pharmacology, and clinical data)
Chemical similarity searching using RDKit fingerprints and Tanimoto scores
0 GitHub stars
Detailed target identification, including enzymes, transporters, and carrier proteins

Use Cases

Drug repurposing studies through target identification and shared pathway mapping
ADMET prediction and structure-activity relationship (SAR) modeling for drug discovery
Pharmacovigilance research and polypharmacy safety analysis for clinical support

About

Key Features

Advanced drug-drug interaction (DDI) analysis and network mapping
Automated database management and XML parsing via drugbank-downloader
Comprehensive drug metadata retrieval (chemical properties, pharmacology, and clinical data)
Chemical similarity searching using RDKit fingerprints and Tanimoto scores
0 GitHub stars
Detailed target identification, including enzymes, transporters, and carrier proteins

Use Cases

Drug repurposing studies through target identification and shared pathway mapping
ADMET prediction and structure-activity relationship (SAR) modeling for drug discovery
Pharmacovigilance research and polypharmacy safety analysis for clinical support