NCI CACTUS

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Convert chemical identifiers including drug names, CAS numbers, and SMILES to alternative chemical notation formats.

by pipeworx-io

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About

Convert chemical identifiers including drug names, CAS numbers, and SMILES to alternative chemical notation formats.

README

NCI CACTUS Chemical Identifier Resolver MCP.

Part of Pipeworx — an MCP gateway connecting AI agents to 1394+ live data sources.

Tools

Tool	Description
`resolve`	NCI CACTUS chemical identifier resolver. Convert one chemical identifier (a drug/chemical name, CAS number, SMILES, InChI, or InChIKey) into a single representation: smiles (canonical SMILES), stdinchi (standard InChI), stdinchikey (standard InChIKey), iupac_name, names (synonym list), formula (molecular formula), mw (molecular weight), or cas (CAS registry number(s)). Keyless, plain-text API.
`identify`	NCI CACTUS one-shot lookup: given any chemical identifier (name, CAS, SMILES, InChI, or InChIKey), return SMILES, InChIKey, IUPAC name, molecular formula, molecular weight, and CAS number in a single call. Fields that cannot be resolved are returned as null. Keyless, plain-text API.

Quick Start

Add to your MCP client (Claude Desktop, Cursor, Windsurf, etc.):

{
  "mcpServers": {
    "cactus": {
      "url": "https://gateway.pipeworx.io/cactus/mcp"
    }
  }
}

Or connect to the full Pipeworx gateway for access to all 1394+ data sources:

{
  "mcpServers": {
    "pipeworx": {
      "url": "https://gateway.pipeworx.io/mcp"
    }
  }
}

Using with ask_pipeworx

Instead of calling tools directly, you can ask questions in plain English:

ask_pipeworx({ question: "your question about Cactus data" })

The gateway picks the right tool and fills the arguments automatically.

License

MIT

from github.com/pipeworx-io/mcp-cactus

Install NCI CACTUS in Claude Desktop, Claude Code & Cursor

Recommended · one command, every IDE

unyly install nci-cactus

Installs into Claude Desktop, Claude Code, Cursor & VS Code — handles npx, uvx and build-from-source repos for you.

First time? Get the CLI: curl -fsSL https://unyly.org/install | sh

Or configure manually

Run in your terminal:

claude mcp add nci-cactus -- npx -y @pipeworx/mcp-cactus

Step-by-step: how to install NCI CACTUS

Install NCI CACTUS in Claude Desktop Install NCI CACTUS in Claude Code Install NCI CACTUS in Cursor Install NCI CACTUS in VS Code

FAQ

Is NCI CACTUS MCP free?

Yes, NCI CACTUS MCP is free — one-click install via Unyly at no cost.

Does NCI CACTUS need an API key?

No, NCI CACTUS runs without API keys or environment variables.

Is NCI CACTUS hosted or self-hosted?

Self-hosted: the server runs locally on your machine via the install command above.

How do I install NCI CACTUS in Claude Desktop, Claude Code or Cursor?

Open NCI CACTUS on unyly.org, pick your client tab (Claude Desktop, Claude Code, Cursor) and press Install — the config is generated automatically, no JSON editing.

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