Legacy CHEESE API
Search One Molecule Job
Submit a job to search by a single molecule using various criteria.
Parameters:
- search_input (str): The input molecule to search for (default is "CC(=O)Oc1ccccc1C(=O)O")
- search_type (SearchTypes): The type of search to perform (default is "morgan")
- db_names (List[DatabaseEnum]): The databases to use for the search
- n_neighbors (int): The number of neighbors to consider (maximum is 100K)
Returns:
- A dictionary containing the search input, search type, number of neighbors, search quality, and databases used.
Authorization
APIKeyHeader X-API-Key<token>
In: header
Query Parameters
search_input?Search Input
Default
"CC(=O)Oc1ccccc1C(=O)O"search_type?SearchTypes
The type of search to perform
Default
"espsim_shape"Value in
- "morgan"
- "espsim_electrostatic"
- "espsim_shape"
- "synthongpt"
search_quality?SearchQuality
Speed/Accuracy Tradeoff
Default
"fast"Value in
- "fast"
- "accurate"
- "very_accurate"
- "100"
- "1000"
- "10000"
db_names?array<>
Selected Databases
Default
[ "CHEMINFINITA-SYNTHON"]n_neighbors?N Neighbors
The number of neighbors to consider (maximum is 100K)
Default
100000include_properties?Include Properties
Default
falseResponse Body
application/json
application/json
curl -X GET "https://example.com/submit_molsearch"null