ChEMBL MCP Server

Name: ChEMBL MCP Server
Author: Augmented-Nature

@Augmented-Nature

代码仓库

关于 ChEMBL MCP Server

A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.

#cheminformatics #drug-discovery #drug-design #chembl #model-context-protocol #mcp-server

基本信息

分类

其他

许可证

NOASSERTION

运行时

node

传输方式

stdio

发布者

Augmented-Nature

配置

使用下面的配置,将此服务器添加到你的 MCP 客户端。

{
  "mcpServers": {
    "Augmented-Nature-ChEMBL-MCP-Server": {
      "command": "docker",
      "args": [
        "build",
        "-t",
        "chembl-mcp-server",
        "."
      ]
    }
  }
}

工具

未检测到工具

工具是从 README 中自动提取的。维护者可以在 ## Tools 标题下列出工具,即可填充这部分内容。

概览

What is ChEMBL MCP Server?

An unofficial Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database. It offers 22 specialized tools enabling AI assistants and MCP clients to perform drug discovery research, chemical informatics analysis, and bioactivity investigations through ChEMBL's REST API. Developed by Augmented Nature.

How to use ChEMBL MCP Server?

Install Node.js v16+, clone the repository, run npm install and npm run build, then start with npm start. Add the server to your MCP client configuration (e.g., Claude Desktop) using the path to the compiled build/index.js. Alternatively, run the Docker image with docker run -i chembl-mcp-server.

Key features of ChEMBL MCP Server

22 specialized tools for chemical and drug discovery searches
Compound search, similarity, and substructure retrieval
Target analysis and UniProt integration
Bioactivity, assay, and dose-response data access
Drug development status and clinical trial information
ADMET analysis, molecular descriptors, and drug-likeness assessment
Batch processing and external database cross-references

Use cases of ChEMBL MCP Server

Search for compounds by name or identifier and retrieve detailed chemical properties
Find biological targets and their associated pathways and mechanisms
Analyze bioactivity measurements like IC50 or Ki for a target or compound
Evaluate ADMET properties and drug-likeness for candidate compounds
Batch-lookup multiple ChEMBL IDs for cross-database comparisons