skills.rest
jaechang-hits
jaechang-hitsCOMMUNITY
Explore all skills by this author →
GitHub

drugbank-database-access

Parse and query local DrugBank XML databases for drug information and interactions.

298|27|Updated Feb 18, 2026
Search Tags:#drug interactions#cheminformatics#database query#pharmacology#drugbank#drug targets
One-click install
npx skills add https://github.com/jaechang-hits/SciAgent-Skills --skill drugbank-database-access
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drugbank-database-access
Source: https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/drugbank-database-access
Command: npx skills add https://github.com/jaechang-hits/SciAgent-Skills --skill drugbank-database-access

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires lxml, rdkit-pypi, drugbank-downloader, pandas, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill allows you to efficiently query the comprehensive DrugBank database locally, enabling detailed analysis of drug information, interactions, targets, and chemical properties without relying on rate-limited APIs.

Core Features & Use Cases

  • Drug Information Retrieval: Look up drugs by ID, name, or CAS number to get descriptions, indications, and mechanisms.
  • Interaction Analysis: Identify drug-drug interactions, classify their severity, and check pairwise interactions.
  • Target & Pathway Mapping: Extract protein targets, enzymes, transporters, and associated pathways.
  • Chemical Property Analysis: Retrieve SMILES, molecular weight, logP, and compute molecular similarity.
  • Cross-Database Linking: Map DrugBank entries to external identifiers like PubChem, ChEMBL, and UniProt.
  • Use Case: Screen a list of patient medications for potential dangerous drug-drug interactions and identify common targets for drug repurposing.

Quick Start

Find information about the drug 'Metformin' using the drugbank-database-access skill.

Frequently Asked Questions about drugbank-database-access

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I query DrugBank XML for drug-drug interactions and severity?▼

To query drug-drug interactions, parse the local DrugBank XML database using Python ElementTree to extract interaction pairs and classify their severity programmatically for batch analysis.

Can I retrieve SMILES and molecular weight from a local DrugBank database?▼

Yes, you can retrieve chemical properties like SMILES, molecular weight, and logP by parsing the local DrugBank XML file, enabling detailed cheminformatics analysis without API rate limits.

How do I map DrugBank entries to external identifiers like PubChem and ChEMBL?▼

Map DrugBank entries to external identifiers by parsing cross-database links within the local XML structure, allowing you to connect drug records to PubChem, ChEMBL, and UniProt.

Does this approach require an internet connection to look up drug targets and pathways?▼

No internet connection is required for querying drug targets, enzymes, and transporters because the Skill parses a locally downloaded DrugBank XML database for comprehensive pharmacology data.

How do I extract protein targets and associated pathways from DrugBank data?▼

Extract protein targets and pathways by navigating the DrugBank XML tree with Python ElementTree to retrieve detailed target mappings and associated biological pathway information.

Related Skills

Explore More Education & Research Skills→
robotlearning123robotlearning123

drugbank-database

Query DrugBank drug properties, interactions, targets, and pathways via Python.

Community
Advanced
SologaSologa
1

pytdc

Access AI-ready drug discovery datasets and benchmarks for machine learning in therapeutics.

Community
Intermediate
omar-A-hassanomar-A-hassan
18

rdkit

Compute molecular properties and fingerprints from SMILES strings with RDKit.

Community
Intermediate
QSong-githubQSong-github
130

drugbank-query

Query local DrugBank XML or CSV data by drug ID or name for targets and interactions.

Community
Intermediate