Can I generate chemical structure images?

Yes, the skill includes capabilities to download 2D structure visualizations in PNG format directly from PubChem for any compound in the database.

What is the PubChem Database skill for Claude Code?

It is a specialized capability that allows Claude to query the PubChem database via the PUG-REST API and PubChemPy to find chemical information, properties, and structures.

Does this skill provide bioactivity data?

Yes, it can retrieve biological activity data from screening assays and provide biological target information for specific compounds.

Can I search for compounds using SMILES strings?

Yes, the skill supports searching by SMILES, chemical name, CID, InChI, and molecular formula to find specific compounds or motifs.

What are the rate limits for the PubChem API?

The API generally allows up to 5 requests per second and 400 requests per minute. The skill includes best practices to handle these limits effectively.

PubChem Database Explorer

Name: PubChem Database Explorer
Author: K-Dense-AI

byK-Dense-AI

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3,719

Ciencia de Datos y ML

Queries the PubChem database to retrieve chemical properties, perform structure searches, and access bioactivity data for over 110 million compounds.

Acerca de

The PubChem Database skill empowers researchers and developers to interact seamlessly with the world's largest chemical database directly within their development environment. By leveraging the PUG-REST API and PubChemPy, it facilitates comprehensive chemical structure searches by name, SMILES, or InChI, retrieves detailed molecular properties, and performs advanced similarity or substructure analyses. This skill is indispensable for cheminformatics tasks, drug discovery workflows, and any scientific project requiring high-quality, verified chemical information and bioactivity data.

Características Principales

Molecular property retrieval including weight, LogP, TPSA, and H-bond counts
Batch processing and format conversion between SDF, JSON, and PNG
Advanced similarity and substructure searches for chemical motif identification
Comprehensive structure search using names, SMILES, CIDs, or InChI
Access to bioactivity data and screening assay results
3,719 GitHub stars

Casos de Uso

Automated drug-likeness screening using Lipinski's Rule of Five
Converting chemical identifiers and generating 2D structure visualizations
Building chemical datasets for machine learning and QSAR modeling

Acerca de

Características Principales

Molecular property retrieval including weight, LogP, TPSA, and H-bond counts
Batch processing and format conversion between SDF, JSON, and PNG
Advanced similarity and substructure searches for chemical motif identification
Comprehensive structure search using names, SMILES, CIDs, or InChI
Access to bioactivity data and screening assay results
3,719 GitHub stars

Casos de Uso

Automated drug-likeness screening using Lipinski's Rule of Five
Converting chemical identifiers and generating 2D structure visualizations
Building chemical datasets for machine learning and QSAR modeling