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Question: CSI:FingerID scores interpretation #114

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titodamiani opened this issue Apr 8, 2023 · 0 comments
Open

Question: CSI:FingerID scores interpretation #114

titodamiani opened this issue Apr 8, 2023 · 0 comments

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@titodamiani
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Hey guys!
I have a couple of questions about CSI:FingerID structure prediction scores:

  1. 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?).
  2. 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

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