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AIRI: Predicting Retention Indices and their Uncertainties using Artificial Intelligence
To quantify the uncertainty of our network for each individual prediction, we used the outputs of an ensemble of 8 networks to calculate a predicted standard deviation for each RI value prediction.
AIomics: exploring more of the proteome using mass spectral libraries extended by AI
Sequence search algorithms used to identify peptide spectra can be expanded to cover larger classes of molecules, including more modifications, isoforms, and atypical cleavage, but at the cost of false positives or false negatives due to the simplified spectra they compute from sequence records.
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