Default structural search
Recommended SynthonOR proposal with exact ECFP4/Tanimoto product reranking.
POST /api/v2/search is the recommended starting point. It uses Morgan-OR over synthons to propose
constructible products, assembles them, then ranks exact product ECFP4 fingerprints by Tanimoto.
There is no scorer field: this route has one stable scientific meaning.
{
"query_smiles": "CCO",
"database_id": "enamine-real-v5a",
"limit": 20
}| Field | Meaning |
|---|---|
query_smiles | Required structure, at most 2,048 characters |
database_id | Required chemical-space ID from the catalog |
limit | Final products, default 20, range 1–200 |
shortlist_multiplier | Advanced proposal/recall budget, default 10, range 0–200; 0 disables candidate over-fetch |
include_synthons | Opt-in route/synthon expansion; increases response size |
Increasing shortlist_multiplier asks the engine to assemble and exactly rerank more proposals. It
can improve recall at a proportional latency/cost increase; it does not change the final metric.
Set shortlist_multiplier to 0 for explicit no-over-fetch mode. The engine proposes exactly
limit products and still applies exact assembled-product ECFP4/Tanimoto scoring. This is not a
proposal-only mode and does not weaken the endpoint's stated metric.
The request is safe to retry against the same pinned release. A 429 is transient and includes
Retry-After; validation and invalid-SMILES errors are not retryable. See the
quickstart for curl, Python, CLI, and a representative response.