CHEESE API v2
Find ECFP4/Tanimoto neighbors
Authorization
APIKeyHeader x-api-key<token>
In: header
Header Parameters
x-dmc-client?string|null
Request Body
application/json
TypeScript Definitions
Use the request body type in TypeScript.
Stable public request for fixed ECFP4/Tanimoto search.
Response Body
application/json
application/json
curl -X POST "https://example.com/api/v2/search" \ -H "Content-Type: application/json" \ -d '{ "database_id": "string", "query_smiles": "string" }'{ "admet_acquisition_models": { "property1": "string", "property2": "string" }, "admet_acquisition_semantics": "string", "counts": { "additive_property_dropped": 0, "admet_acquisition_dropped": 0, "admet_out_of_domain": 0, "assembled": 0, "duplicate_products": 0, "duplicate_tuples": 0, "exact_constraint_dropped": 0, "exact_property_dropped": 0, "invalid": 0, "property_approximation_unavailable": 0, "proposed": 0, "returned": 0 }, "database_id": "string", "database_release": "string", "effective_shortlist": 0, "engine_version": "string", "exact_property_postfilter": true, "metric": "string", "model_version": "string", "property_constraints": { "property1": { "max": 0, "max_inclusive": true, "min": 0, "min_inclusive": true }, "property2": { "max": 0, "max_inclusive": true, "min": 0, "min_inclusive": true } }, "property_preset": "lipinski-ro5", "query_smiles": "string", "request_id": "string", "results": [ { "admet_acquisition_scores": { "property1": 0, "property2": 0 }, "admet_in_domain": true, "approximate_properties": { "property1": 0, "property2": 0 }, "constraint_evidence": [ {} ], "metric": "string", "price": 1, "product_id": "string", "properties": { "property1": 0, "property2": 0 }, "proposal_score": 0, "rank": 0, "reaction_id": "string", "score": 0, "smiles": "string", "synthons": [ { "slot": 0, "smiles": "string", "synthon_id": "string" } ] } ], "scorer": "morgan", "shortlist_multiplier": 0, "timing_ms": { "assembly_and_scoring": 0, "proposal": 0, "query": 0, "total": 0 }, "warnings": [ { "property1": "string", "property2": "string" } ]}