search_exact
Find chemical compounds by exact SMILES match to identify synthesizable building blocks and screening compounds for research or ordering.
Instructions
Exact search by SMILES
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes | ||
| shipToCountry | No | The country you want your order to be shipped to as two-letter country ISO code, e.g DE, US, FR | US |
| count | No | Maximum number of results on a page | |
| page | No | Number of the page | |
| categories | No | A list of product categories to searchCSSB - In-stock building blocksCSSS - In-stock screening compoundsCSMB - Make-on-demand building blocksCSMS - Make-on-demand screening compoundsCSCS - Custom request |
Implementation Reference
- src/chemspace_mcp/tools.py:41-71 (handler)The core handler function for the 'search_exact' tool. It performs an HTTP POST request to the Chemspace API's exact search endpoint with the provided SMILES string and parameters, authenticates using a token from the manager, and returns the JSON response.
async def search_exact( smiles: str, shipToCountry: Country = "US", count: ResultCount = 10, page: ResultPage = 1, categories: ProductCategories = ["CSSB", "CSMB"], ): """Exact search by SMILES""" access_token = await mgr.get_token() async with httpx.AsyncClient() as client: r = await client.post( url="https://api.chem-space.com/v4/search/exact", headers={ "Accept": "application/json; version=4.1", "Authorization": f"Bearer {access_token}", }, params={ "shipToCountry": shipToCountry, "count": count, "page": page, "categories": ",".join(categories), }, files={ "SMILES": (None, smiles), }, ) r.raise_for_status() data = r.json() return data - src/chemspace_mcp/tools.py:7-37 (schema)Type definitions using Pydantic Annotated and Field for input validation of the search_exact tool parameters (Country, ResultCount, ResultPage, ProductCategories). These are used in the function signature for schema enforcement.
# function input types Country = Annotated[ str, Field( description="The country you want your order to be shipped to as two-letter country ISO code, e.g DE, US, FR" ), ] ResultCount = Annotated[ int, Field(description="Maximum number of results on a page", ge=1) ] ResultPage = Annotated[int, Field(description="Number of the page", ge=1)] ProductCategory = Literal["CSSB", "CSSS", "CSMB", "CSMS", "CSCS"] ProductCategories = Annotated[ List[ProductCategory], Field( description=( "A list of product categories to search" "CSSB - In-stock building blocks" "CSSS - In-stock screening compounds" "CSMB - Make-on-demand building blocks" "CSMS - Make-on-demand screening compounds" "CSCS - Custom request" ), min_length=1, ), ] - src/chemspace_mcp/__init__.py:2-10 (registration)Imports and calls register_tools, which defines and registers the search_exact tool (along with others) to the FastMCP instance.
from .tools import register_tools from .tokenmanager import ChemspaceTokenManager mgr = ChemspaceTokenManager() mcp = FastMCP( "Chemspace MCP", instructions="Tools for retrieving synthesizable building blocks via the Chemspace API", ) register_tools(mcp, mgr)