We have updated the site to 1.0.1. CSI:FingerID is now trained on GNPS 1.2.8 as well as on Orbitrap and Q-TOF spectra from Massbank. The candidate list now contains a simple filter function to only display compound candidates that are contained in some bio databases. There will be further updates within the next days and weeks.
February 2nd, 2016
Our paper for CSI:FingerID has appeared! See Proceedings of the National Academy of Sciences USA, doi:10.1073/pnas.1509788112, 2015.
September 22nd, 2015
CSI:FingerID (Compound Structure Identification: FingerID) is a method for searching a tandem mass spectrum of a small molecule (metabolite) in a database of molecular structures. Details on the method can be found in the publications:Kai Dührkop, Huibin Shen, Marvin Meusel, Juho Rousu, and Sebastian Böcker Searching molecular structure databases with tandem mass spectra using CSI:FingerID PNAS 2015 ; published ahead of print September 21, 2015, doi:10.1073/pnas.1509788112
Novel versions of CSI:FingerID will become available in the near future; in particular, we will retrain the method when more training is available.
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