What data can I access from DrugBank with this skill?

You can access over 200 data fields for nearly 10,000 drug entries, including chemical structures, molecular formulas, mechanism of action, pharmacodynamics, protein targets, and biological pathways.

Does this skill require a DrugBank account?

Yes, you must create a free account at go.drugbank.com and accept their license agreement (free for academic use) to obtain credentials for data access.

Is chemical structure analysis supported?

Yes, the skill integrates with RDKit to perform molecular similarity calculations, Tanimoto scoring, fingerprint generation, and substructure searches using SMILES or InChI identifiers.

Can I use this for drug repurposing research?

Absolutely. The skill features specialized workflows to identify drugs with shared targets or high structural similarity, which are foundational steps in identifying new therapeutic uses for existing drugs.

DrugBank Research & Informatics

Name: DrugBank Research & Informatics
Author: Activer007

byActiver007

数据科学与机器学习

Analyzes and extracts pharmaceutical data from the DrugBank database to support drug discovery, pharmacology research, and chemical property analysis.

关于

This skill provides a comprehensive interface for Claude to interact with the DrugBank database, enabling deep research into over 9,500 drug entries and their biological targets. It streamlines workflows for accessing chemical properties, identifying complex drug-drug interactions, mapping protein targets, and performing structure-based similarity searches. By integrating powerful Python tools like drugbank-downloader and RDKit, the skill allows researchers and developers to conduct automated ADMET predictions, polypharmacy safety audits, and drug repurposing studies with high precision and reproducible versioning.

主要功能

Automated Drug-Drug Interaction (DDI) network and risk analysis
0 GitHub stars
Detailed drug property extraction including SMILES and InChI
Protein target mapping and biological pathway identification
Programmatic database access with version control and caching
Chemical similarity searching and molecular fingerprinting

使用场景

Generating structured datasets for machine learning models in drug discovery
Conducting clinical safety audits to identify potential polypharmacy interactions
Identifying drug repurposing candidates through target and structural similarity analysis

关于

主要功能

Automated Drug-Drug Interaction (DDI) network and risk analysis
0 GitHub stars
Detailed drug property extraction including SMILES and InChI
Protein target mapping and biological pathway identification
Programmatic database access with version control and caching
Chemical similarity searching and molecular fingerprinting

使用场景

Generating structured datasets for machine learning models in drug discovery
Conducting clinical safety audits to identify potential polypharmacy interactions
Identifying drug repurposing candidates through target and structural similarity analysis