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CovaSyn Chemistry Tools

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
NameRequiredDescriptionDefault
peaksYes
adductNo[M+H]+
api_keyNo
precursor_mzYes
fingerprint_typeNoecfp4_1024

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

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