Pubchem Database
Retrieve chemical information, properties, and safety data directly from the PubChem database using compound names or identifiers.
Install on your platform
We auto-selected Claude Code based on this skill’s supported platforms.
Run in terminal (recommended)
claude mcp add pubchem-database npx -- -y @trustedskills/pubchem-database
Or manually add to ~/.claude/settings.json
{
"mcpServers": {
"pubchem-database": {
"command": "npx",
"args": [
"-y",
"@trustedskills/pubchem-database"
]
}
}
}Requires Claude Code (claude CLI). Run claude --version to verify your install.
About This Skill
The PubChem Database skill enables AI agents to query and retrieve comprehensive chemical information, including compound structures, biological activities, and substance properties. It provides direct access to one of the world's largest collections of small molecules and their associated data.
When to use it
- Identify molecular structures and synonyms for unknown compounds during research.
- Retrieve safety data sheets or toxicity profiles for chemical substances.
- Search for biological activities and target information related to specific drugs.
- Validate chemical nomenclature and standardize compound names in datasets.
Key capabilities
- Query PubChem's extensive database of small molecules and bioactive compounds.
- Retrieve detailed structural data, including 2D/3D representations and InChI keys.
- Access biological activities, such as target binding and pathway information.
- Gather substance properties like molecular weight, solubility, and logP values.
Example prompts
- "Find the molecular structure and synonyms for aspirin."
- "What are the known biological targets and toxicity levels of caffeine?"
- "Retrieve the InChI key and molecular weight for ibuprofen."
Tips & gotchas
Ensure your AI agent has network access to reach the external PubChem API endpoints. Results may vary based on the specific version of the database snapshot available at the time of the query.
Tags
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Security Audits
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| Snyk | Pass |
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