resolve
Pack: cactus · Endpoint: https://gateway.pipeworx.io/cactus/mcp
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
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":{}}}'Connect
Add this to your MCP client config, or use one-click install buttons:
{
"mcpServers": {
"cactus": {
"url": "https://gateway.pipeworx.io/cactus/mcp"
}
}
}See Getting Started for client-specific install steps.