`resolve`

Pack: cactus · Connect: https://pipeworx.io/mcp (see Connect below for a single-pack URL)

No MCP client? Call it directly: GET https://gateway.pipeworx.io/v1/tools/resolve for the schema, then POST the same URL with its arguments for the data.

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.

Parameters

Name	Type	Required	Description
`identifier`	string	yes	Chemical name, CAS number, SMILES, InChI, or InChIKey (e.g. “aspirin”, “50-78-2”, “CC(=O)Oc1ccccc1C(O)=O”).
`representation`	string	yes	One of: smiles, stdinchi, stdinchikey, iupac_name, names, formula, mw, cas.

Example call

Arguments

{
  "identifier": "aspirin",
  "representation": "smiles"
}

curl

curl -X POST https://gateway.pipeworx.io/cactus/mcp \
  -H 'Content-Type: application/json' \
  -d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"resolve","arguments":{"identifier":"aspirin","representation":"smiles"}}}'

TypeScript (@pipeworx/sdk)

import { Pipeworx } from '@pipeworx/sdk';
const pipeworx = new Pipeworx();

const result = await pipeworx.call('resolve', {
  "identifier": "aspirin",
  "representation": "smiles"
});

More examples

{
  "identifier": "50-78-2",
  "representation": "iupac_name"
}

Connect

Add this to your MCP client config — every tool in the catalog, including this one — or use one-click install buttons:

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

Connect to just the cactus pack

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

See Getting Started for client-specific install steps.

resolve