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Hey guys!
I have a couple of questions about CSI:FingerID structure prediction scores:
Is there a way to interpret the CSI:FingerIDScore? I know it is hard, but I was wondering whether there are some guidelines you can recommend (e.g., the closer to 0, the better?).
What is the ConfidenceScore in the compound_identification.tsv summary file? Is it the COSMIC score?
I am asking because I would like to (roughly) filter out the very unreliable structure predictions from CSI-Finger:ID and keep only the “reliable” ones. Is there a way I can do it using, for example, the CSI:FingerIDScore and/or the COSMIC score? Can you guys recommend something else?
For example, in these videos (link 1, link 2) Kay says that a reliable prediction should have a tanimoto similarity between the spectrum and structure fingerprint > 50%. Could this be a way to filter out unreliable predictions? Is this tanimoto score available somewhere in the SIRIUS summary files?
Thanks for the help!
Tito
The text was updated successfully, but these errors were encountered:
Hey guys!
I have a couple of questions about CSI:FingerID structure prediction scores:
CSI:FingerIDScore
? I know it is hard, but I was wondering whether there are some guidelines you can recommend (e.g., the closer to 0, the better?).ConfidenceScore
in thecompound_identification.tsv
summary file? Is it the COSMIC score?I am asking because I would like to (roughly) filter out the very unreliable structure predictions from CSI-Finger:ID and keep only the “reliable” ones. Is there a way I can do it using, for example, the
CSI:FingerIDScore
and/or the COSMIC score? Can you guys recommend something else?For example, in these videos (link 1, link 2) Kay says that a reliable prediction should have a tanimoto similarity between the spectrum and structure fingerprint > 50%. Could this be a way to filter out unreliable predictions? Is this tanimoto score available somewhere in the SIRIUS summary files?
Thanks for the help!
Tito
The text was updated successfully, but these errors were encountered: