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Update model documentation
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WassimG committed Oct 7, 2024
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12 changes: 10 additions & 2 deletions models/Prosit/Prosit_2024_intensity_cit/notes.yaml
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description: |
A prosit model trained to predict fragment ion intensites of citrunillated and deamidated peptides. The model is also capable of predicting
unmodified peptides. This model is incorporated into citrunillation rescoring pipeline to validate and improve PTM localization.
A deep learning model based on the architecture of Prosit, specifically trained to predict fragment ion intensities of citrullinated and deamidated peptides,
as well as unmodified peptides. The model leverages the same neural network framework as Prosit but has been extended to accommodate post-translational modifications (PTMs),
particularly citrullination and deamidation.
The training dataset consisted of synthetic peptides from the ProteomeTools project, including a total of 17.5 million spectra.
These were divided into training (~12.2M spectra), validation (~3.5M spectra), and test sets (~1.7M spectra).
The complete dataset is publicly accessible here: https://zenodo.org/records/13856705.
When evaluated on the test set, the model achieved a spectral angle of 0.85 (R = 0.97) for citrullinated peptides and a spectral angle of 0.92 (R = 0.99) for unmodified peptides,
indicating high predictive accuracy for both modified and unmodified peptides.
citation: |
Not available yet.
tag: "Intensity"
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12 changes: 10 additions & 2 deletions models/Prosit/Prosit_2024_irt_cit/notes.yaml
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description: |
A prosit model trained to predict indexed retention time of citrunillated and deamidated peptides. The model is also capable of predicting
unmodified peptides. This model is incorporated into citrunillation rescoring pipeline to validate and improve PTM localization.
A deep learning model based on the architecture of Prosit, specifically trained to predict retention time of citrullinated and deamidated peptides,
as well as unmodified peptides. The model leverages the same neural network framework as Prosit but has been extended to accommodate post-translational modifications (PTMs),
particularly citrullination and deamidation.
The training dataset consisted of synthetic peptides from the ProteomeTools project, including a total of 17.5 million spectra.
These were divided into training (~525K peptides), validation (~150K peptides), and test sets (~75K peptides).
The complete dataset is publicly accessible here: https://zenodo.org/records/13856705.
When evaluated on the test set, the model achieved a delta RT 95 of 140 sec (R = 0.99) for citrullinated peptides and a delta RT 95 of 75 sec (R = 0.99) for unmodified peptides,
indicating high predictive accuracy for both modified and unmodified peptides.
citation: |
Not available yet.
tag: "Retention Time"
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