ChEMBL MCP Server

@Augmented-Nature

リポジトリ

基本情報

カテゴリ

その他

ライセンス

NOASSERTION

トランスポート

stdio

作者

Augmented-Nature

ChEMBL MCP Server について

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

ChEMBL MCP Server の設定

以下の設定を使って、このサーバーを MCP 対応クライアントに追加してください。

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

ChEMBL MCP Server のツール

ツール一覧はまだありません

この掲載には表示できるツール一覧がまだありません。サーバーにツールがないという意味ではありません。対応機能はプロジェクトのドキュメントをご確認ください。

ツールは README から自動的に抽出されます。メンテナーは ## Tools という見出しの下に記載することで、このタブに反映できます。

概要

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

よくある質問

What runtime and dependencies are required?

Node.js v16 or higher, npm or yarn, and the packages @modelcontextprotocol/sdk, axios, and typescript.

Does the server require an API key or authentication?

No. The server uses the public ChEMBL REST API with no authentication. All requests include a User-Agent header `ChEMBL-MCP-Server/1.0.0`.

Where does the data come from?

All data is retrieved on the fly from the ChEMBL REST API at `https://www.ebi.ac.uk/chembl/api/data`. No local database is stored.

What transport does the server use?

The server communicates via stdio, as defined by the Model Context Protocol. It is designed to be configured as an MCP client tool.

Are there any usage limits or timeouts?

API requests have a timeout of 30 seconds. Pagination parameters `limit` (1–1000, default 25) and `offset` are available on search tools.

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