covams_predict_fingerprint
Predict a molecular fingerprint (ECFP4-style bit probabilities) from an MS/MS spectrum.
A CSI:FingerID-style structural descriptor of the unknown, inferred from its
fragmentation. Useful as a scaffold-level fingerprint to compare against
candidate structures (see covams_search_by_fingerprint).Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| peaks | Yes | ||
| adduct | No | [M+H]+ | |
| api_key | No | ||
| precursor_mz | Yes | ||
| fingerprint_type | No | ecfp4_1024 |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |