A
license-
qualityD
maintenanceProvides chemical informatics endpoints for converting between chemical names and SMILES, processing molecule structures, and comparing molecules, with MCP compatibility.
4
MIT
mcp-mychem
by pipeworx-io
Click on "Install Server".
Wait a few minutes for the server to deploy. Once ready, it will show a "Started" state.
In the chat, type
@followed by the MCP server name and your instructions, e.g., "@mcp-mychemshow me the mychem dataset statistics"
That's it! The server will respond to your query, and you can continue using it as needed.
Here is a step-by-step guide with screenshots.
mcp-mychem
MyChem.info MCP.
Part of Pipeworx — an MCP gateway connecting AI agents to 1394+ live data sources.
Tools
Tool | Description |
| Search MyChem.info for drugs / chemical compounds. Accepts a plain drug name ("aspirin"), an InChIKey, or a fielded query (e.g. "chembl.pref_name:aspirin", "drugbank.name:Acetylsalicylic acid"). Returns aggregated hits with cross-references to ChEMBL, DrugBank, PubChem, ChEBI, DrugCentral, etc. Use this to resolve a drug name into structured identifiers. |
| Fetch the full aggregated annotation for a single chemical / drug by id. The id is typically an InChIKey (e.g. "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"), but a DrugBank id, ChEMBL id, or other source id also works. Returns merged annotations from ChEMBL, DrugBank, PubChem, ChEBI, DrugCentral, etc., including mechanism, indication, and pharmacology cross-references. |
| Returns MyChem.info build metadata: total indexed compound count, available annotation sources (ChEMBL, DrugBank, PubChem, ChEBI, DrugCentral, FDA NDC), and their current release versions. |
Related MCP server: Comptox MCP Server
Quick Start
Add to your MCP client (Claude Desktop, Cursor, Windsurf, etc.):
{
"mcpServers": {
"mychem": {
"url": "https://gateway.pipeworx.io/mychem/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 Mychem data" })The gateway picks the right tool and fills the arguments automatically.
More
License
MIT
This server cannot be installed
Maintenance
–Maintainers
–Response time
–Release cycle
–Releases (12mo)
Commit activity
Resources
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Looking for Admin?
If you are the server author, to access and configure the admin panel.
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