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Matthew The

dblp:197/8341 · DBLP profile ↗
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1ranked-venue papers
0as first author
0since 2021 · last 2017
0000-0002-5401-5553ORCID · reported

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 75% Computational science and engineering · 25%

Topics — the 4 heaviest of 4, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology
proteomics
0.312017
Uncertainty estimation of predictions of peptides' chromatographic retention times in shotgun proteomics · Bioinform. 2017
Bioinformatics and computational biology › metabolomics
retention time prediction
0.312017
Uncertainty estimation of predictions of peptides' chromatographic retention times in shotgun proteomics · Bioinform. 2017
Bioinformatics and computational biology › proteomics
shotgun proteomics
0.312017
Uncertainty estimation of predictions of peptides' chromatographic retention times in shotgun proteomics · Bioinform. 2017
Computational science and engineering › statistical computing
uncertainty estimation
0.312017
Uncertainty estimation of predictions of peptides' chromatographic retention times in shotgun proteomics · Bioinform. 2017

Methods — techniques the papers use, named apart from their topics

gaussian process regression · 0.3feature representation · 0.3
YearPublicationVenuePosition
2017 Uncertainty estimation of predictions of peptides' chromatographic retention times in shotgun proteomics
abstract
Motivation: Liquid chromatography is frequently used as a means to reduce the complexity of peptide-mixtures in shotgun proteomics. For such systems, the time when a peptide is released from a chromatography column and registered in the mass spectrometer is referred to as the peptide's retention time . Using heuristics or machine learning techniques, previous studies have demonstrated that it is possible to predict the retention time of a peptide from its amino acid sequence. In this paper, we are applying Gaussian Process Regression to the feature representation of a previously described predictor E lude . Using this framework, we demonstrate that it is possible to estimate the uncertainty of the prediction made by the model. Here we show how this uncertainty relates to the actual error of the prediction. Results: In our experiments, we observe a strong correlation between the estimated uncertainty provided by Gaussian Process Regression and the actual prediction error. This relation provides us with new means for assessment of the predictions. We demonstrate how a subset of the peptides can be selected with lower prediction error compared to the whole set. We also demonstrate how such predicted standard deviations can be used for designing adaptive windowing strategies. Contact: [email protected]. Availability and Implementation: Our software and the data used in our experiments is publicly available and can be downloaded from https://github.com/statisticalbiotechnology/GPTime .
Heydar Maboudi Afkham, Xuanbin Qiu, Matthew The, Lukas Käll
Bioinform.3