Legacy CHEESE API
Similarity
Calculate the similarity between two molecules.
This endpoint allows users to calculate the similarity between two molecules based on their SMILES strings.
Parameters:
- smiles1 (str): The SMILES string of the first molecule.
- smiles2 (str): The SMILES string of the second molecule.
- similarity_metric (EmbNames): The model and similarity metric to use for the calculation.
- distance_type (DistanceType): The type of vector distance to use for the similarity calculation.
Returns:
- A JSON response containing the similarity score between the two molecules.
Authorization
APIKeyHeader X-API-Key<token>
In: header
Query Parameters
smiles1?Smiles1
Default
"CC(=O)Oc1ccccc1C(=O)O"smiles2?Smiles2
Default
"CC(=O)Oc1cnccc1C(=O)O"similarity_metric?EmbNames
CHEESE Model & Similarity Metric
Default
"all"Value in
- "all"
- "morgan"
- "espsim_electrostatic"
- "espsim_shape"
- "synthongpt"
distance_type?DistanceType
Select Vector Distance
Default
"euclidean"Value in
- "euclidean"
- "cosine"
Response Body
application/json
application/json
curl -X GET "https://example.com/similarity"null