Can I use spectral data for identification?

Yes, the `identify_groups` tool supports both structural representations like SMILES and spectral data descriptions.

How does the tool handle group interactions?

You can use `analyze_group_interactions` to evaluate how the proximity and structural relationship of groups affect their properties.

Does it predict reaction products?

Yes, `get_characteristic_reactions` provides expected products and suggested reagents for the identified groups.

Functional Group Identification MCP Connector for Claude

A+

Identify functional groups, predict reactivity, and analyze chemical interactions.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner

More Details Connect to Claude

This MCP server provides organic chemists with a suite of diagnostic tools to analyze molecular structures. Use identify_groups to detect functional groups from SMILES or spectral data, predict_reactivity to determine chemical behavior, get_characteristic_reactions to find likely reaction pathways, and analyze_group_interactions to understand how groups influence each other through steric or electronic effects.

organic-chemistrymolecular-structurereactivityspectral-analysischemical-reactions

Connect to Claude

Subscribe on Vinkius, then add this connector to Claude.ai or Claude Code.

① Claude.ai (web app)

Go to Settings → Connectors → Add custom connector
Paste the MCP endpoint URL below

https://edge.vinkius.com/vk_preview_XuhTWzwNFLs3FioOsqW5Xh9HMzFv1p0hffpuFQ0C/mcp

② Claude Code (terminal)

claude mcp add --transport http functional-group-identification https://edge.vinkius.com/vk_preview_XuhTWzwNFLs3FioOsqW5Xh9HMzFv1p0hffpuFQ0C/mcp

③ Claude Desktop

Add to claude_desktop_config.json:

{
  "mcpServers": {
    "functional-group-identification": {
      "url": "https://edge.vinkius.com/vk_preview_XuhTWzwNFLs3FioOsqW5Xh9HMzFv1p0hffpuFQ0C/mcp"
    }
  }
}

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