fingerprints & tree for GC data

biocore / q2-qemistree

Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".

BSD 2-Clause "Simplified" License

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Closed anupriyatripathi closed 4 years ago

anupriyatripathi commented 5 years ago

we cannot do it using sirius in all probability. Need to investigate other types of fingerprints eg CFMID