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Messages - sebastian.boecker

Computational Mass Spectrometry / SIRIUS 3.5 out now, integrating CSI:FingerID
Our latest version SIRIUS 3.5 comes with several improvements. Download it from

We have a new overview tab for CSI:FingerID hits, which displays results of structure search for multiple molecular formulas. You can examine the predicted fingerprint of each compound (and molecular formula) independently of any database. We now offer the possibility to create and search in custom structure databases (suspect screening). Besides, we have a new Bayesian networks scoring function for CSI:FingerID which considers dependencies between different molecular properties. This and much more.

Note in passing: The CSI:FingerID web service has just passed the mark of processing data from 500,000 query compounds — congratulations to CSI:FingerID, and thank you for your interest in our tools! (Be reminded that CSI:FingerID should be accessed via the SIRIUS application, not via the web page.)

If you have comments, ideas for improvements, feature requests etc, please answer to this post.