PredEI
Computational Tool
Description
A bidirectional neural network to predict EI-MS spectra. Outperforms NEIMS with improved parent ion intensity prediction and is able to predict the formulas of most predicted fragment ions. Performance gives an average cosine similarity score of about 79%.
Technical Details
Operating System:
Web-based
Web-based
Keywords
EI-MS mass spectrometry spectral prediction neural networkAccess Resource
Open ResourceMetadata
Created: January 10, 2026
Last Updated: January 10, 2026
Type: Computational Tool