Pubchem Database

🌐Community
by ovachiever · vlatest · Repository

Retrieve chemical properties, structures, and safety data from the PubChem database using precise queries.

Install on your platform

We auto-selected Claude Code based on this skill’s supported platforms.

1

Run in terminal (recommended)

terminal
claude mcp add ovachiever-pubchem-database npx -- -y @trustedskills/ovachiever-pubchem-database
2

Or manually add to ~/.claude/settings.json

~/.claude/settings.json
{
  "mcpServers": {
    "ovachiever-pubchem-database": {
      "command": "npx",
      "args": [
        "-y",
        "@trustedskills/ovachiever-pubchem-database"
      ]
    }
  }
}

Requires Claude Code (claude CLI). Run claude --version to verify your install.

About This Skill

What it does

This skill provides access to the PubChem database, a comprehensive resource of chemical molecules and their activity. It allows users to query this database to retrieve information such as chemical names, structures (in various formats), properties, safety data, and biological activities. The skill can be used for research, analysis, or any application requiring detailed chemical information.

When to use it

  • Chemical Research: Find specific compounds based on name, CAS number, or molecular formula.
  • Drug Discovery: Identify potential drug candidates by searching for molecules with desired properties or biological activity.
  • Material Science: Retrieve data about the composition and characteristics of materials.
  • Safety Assessment: Obtain safety information (e.g., toxicity) for chemicals used in experiments or processes.

Key capabilities

  • Chemical name search
  • CAS Registry Number search
  • Molecular formula search
  • Retrieval of chemical structures (SMILES, InChI)
  • Access to physical and chemical properties
  • Biological activity data retrieval

Example prompts

  • "Find the CAS number for aspirin."
  • "What is the molecular structure of caffeine?"
  • "Give me the safety information for ethanol."
  • "Search PubChem for compounds with anti-inflammatory activity."

Tips & gotchas

The accuracy of results depends on the completeness and correctness of data within the PubChem database. Be aware that chemical nomenclature can be complex, so slight variations in search terms may yield different or unexpected results.

Tags

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Details

Version
vlatest
License
Author
ovachiever
Installs
25

🌐 Community

Passed automated security scans.