| name | patsnap-chemistry-small-molecule |
| description | Patsnap Chemistry & Small Molecule MCP for AI agents. Intelligent chemical small molecule analysis platform, covering chemical structure search, structure details analysis, and ADMET property prediction. |
| homepage | https://open.patsnap.com/marketplace/mcp-servers/chemistry-small-molecule |
| metadata | {"author":"Patsnap","category":"Life Science","version":"1.0.0","requires":{"mcp_endpoint":"https://connect.patsnap.com/f71d33/logic-mcp?apikey=YOUR_API_KEY"}} |
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
- Run
structure_search with a lead SMILES.
- Fetch analog details with
structure_fetch.
- Predict ADMET with
admet_predict to prioritize candidates.
Resources
