Patsnap Chemistry Small Molecule

Setup

Get your API Key at https://open.patsnap.com

Patsnap Chemistry & Small Molecule

This skill connects your AI agent to Patsnap's Chemistry & Small Molecule MCP server — providing professional-grade life sciences intelligence.

Intelligent chemical small molecule analysis platform, covering chemical structure search, structure details analysis, and ADMET property prediction.

Prerequisites

This skill requires the Patsnap Chemistry & Small Molecule MCP server to be configured in your environment:

{
  "mcpServers": {
    "chemistry_small_molecule": {
      "url": "https://connect.patsnap.com/f71d33/logic-mcp?apikey=YOUR_API_KEY",
      "type": "streamableHttp"
    }
  }
}

Get your API key at open.patsnap.com. For the full list of available tools and input parameters, refer to the official MCP server documentation: https://open.patsnap.com/marketplace/mcp-servers/chemistry-small-molecule

Instructions for AI Agents

Step 1: Chemical Entity Recognition

When a user mentions a chemical name, drug, or SMILES string, resolve it to a standard structure or identifier.

Step 2: Structure Search

Use structure_search for exact matches or similarity analogs. Fetch full details with structure_fetch.

Step 3: Property Prediction

Use admet_predict to evaluate drug-likeness and pharmacokinetic properties.

Step 4: Output Synthesis

Present SMILES/InChI, scaffold descriptions, and tabular comparisons of analogs.

Example Workflows

Lead Optimization

1. Run structure_search with a lead SMILES.
2. Fetch analog details with structure_fetch.
3. Predict ADMET with admet_predict to prioritize candidates.

Resources

• Patsnap Life Sciences: eureka.patsnap.com/ls-landing
• MCP Server: open.patsnap.com/marketplace/mcp-servers
• API Docs: open.patsnap.com/devportal