FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2914609306> ?p ?o ?g. }

• W2914609306 endingPage "3703" @default.
• W2914609306 startingPage "3694" @default.
• W2914609306 abstract "Liquid chromatography is a core component of almost all mass spectrometric analyses of (bio)molecules. Because of the high-throughput nature of mass spectrometric analyses, the interpretation of these chromatographic data increasingly relies on informatics solutions that attempt to predict an analyte's retention time. The key components of such predictive algorithms are the features these are supplies with, and the actual machine learning algorithm used to fit the model parameters. Therefore, we have evaluated the performance of seven machine learning algorithms on 36 distinct metabolomics data sets, using two distinct feature sets. Interestingly, the results show that no single learning algorithm performs optimally for all data sets, with different types of algorithms achieving top performance for different types of analytes or different protocols. Our results thus show that an evaluation of machine learning algorithms for retention time prediction is needed to find a suitable algorithm for specific analytes or protocols. Importantly, however, our results also show that blending different types of models together decreases the error on outliers, indicating that the combination of several approaches holds substantial promise for the development of more generic, high-performing algorithms." @default.
• W2914609306 created "2019-02-21" @default.
• W2914609306 creator A5038356859 @default.
• W2914609306 creator A5068472419 @default.
• W2914609306 creator A5089999758 @default.
• W2914609306 date "2019-01-31" @default.
• W2914609306 modified "2023-09-30" @default.
• W2914609306 title "Comprehensive and Empirical Evaluation of Machine Learning Algorithms for Small Molecule LC Retention Time Prediction" @default.
• W2914609306 cites W1963658467 @default.
• W2914609306 cites W1963894076 @default.
• W2914609306 cites W1968518086 @default.
• W2914609306 cites W1975147762 @default.
• W2914609306 cites W1975398458 @default.
• W2914609306 cites W1979572863 @default.
• W2914609306 cites W1988790447 @default.
• W2914609306 cites W1990388290 @default.
• W2914609306 cites W1995746721 @default.
• W2914609306 cites W2017955281 @default.
• W2914609306 cites W2030147975 @default.
• W2914609306 cites W2037572249 @default.
• W2914609306 cites W2044449749 @default.
• W2914609306 cites W2060559335 @default.
• W2914609306 cites W2066273100 @default.
• W2914609306 cites W2070016412 @default.
• W2914609306 cites W2070977314 @default.
• W2914609306 cites W2083522539 @default.
• W2914609306 cites W2091522399 @default.
• W2914609306 cites W2125899377 @default.
• W2914609306 cites W2135046866 @default.
• W2914609306 cites W2161336914 @default.
• W2914609306 cites W2168354849 @default.
• W2914609306 cites W2171541130 @default.
• W2914609306 cites W2175158758 @default.
• W2914609306 cites W2265106087 @default.
• W2914609306 cites W2275699456 @default.
• W2914609306 cites W2289191408 @default.
• W2914609306 cites W2596893027 @default.
• W2914609306 cites W2887566220 @default.
• W2914609306 cites W2911964244 @default.
• W2914609306 cites W4234698323 @default.
• W2914609306 cites W4239510810 @default.
• W2914609306 doi "https://doi.org/10.1021/acs.analchem.8b05820" @default.
• W2914609306 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30702864" @default.
• W2914609306 hasPublicationYear "2019" @default.
• W2914609306 type Work @default.
• W2914609306 sameAs 2914609306 @default.
• W2914609306 citedByCount "55" @default.
• W2914609306 countsByYear W29146093062019 @default.
• W2914609306 countsByYear W29146093062020 @default.
• W2914609306 countsByYear W29146093062021 @default.
• W2914609306 countsByYear W29146093062022 @default.
• W2914609306 countsByYear W29146093062023 @default.
• W2914609306 crossrefType "journal-article" @default.
• W2914609306 hasAuthorship W2914609306A5038356859 @default.
• W2914609306 hasAuthorship W2914609306A5068472419 @default.
• W2914609306 hasAuthorship W2914609306A5089999758 @default.
• W2914609306 hasBestOaLocation W29146093062 @default.
• W2914609306 hasConcept C10390740 @default.
• W2914609306 hasConcept C11413529 @default.
• W2914609306 hasConcept C119857082 @default.
• W2914609306 hasConcept C138885662 @default.
• W2914609306 hasConcept C154945302 @default.
• W2914609306 hasConcept C185592680 @default.
• W2914609306 hasConcept C2776401178 @default.
• W2914609306 hasConcept C41008148 @default.
• W2914609306 hasConcept C41895202 @default.
• W2914609306 hasConcept C43617362 @default.
• W2914609306 hasConcept C79337645 @default.
• W2914609306 hasConceptScore W2914609306C10390740 @default.
• W2914609306 hasConceptScore W2914609306C11413529 @default.
• W2914609306 hasConceptScore W2914609306C119857082 @default.
• W2914609306 hasConceptScore W2914609306C138885662 @default.
• W2914609306 hasConceptScore W2914609306C154945302 @default.
• W2914609306 hasConceptScore W2914609306C185592680 @default.
• W2914609306 hasConceptScore W2914609306C2776401178 @default.
• W2914609306 hasConceptScore W2914609306C41008148 @default.
• W2914609306 hasConceptScore W2914609306C41895202 @default.
• W2914609306 hasConceptScore W2914609306C43617362 @default.
• W2914609306 hasConceptScore W2914609306C79337645 @default.
• W2914609306 hasIssue "5" @default.
• W2914609306 hasLocation W29146093061 @default.
• W2914609306 hasLocation W29146093062 @default.
• W2914609306 hasLocation W29146093063 @default.
• W2914609306 hasLocation W29146093064 @default.
• W2914609306 hasOpenAccess W2914609306 @default.
• W2914609306 hasPrimaryLocation W29146093061 @default.
• W2914609306 hasRelatedWork W1992130478 @default.
• W2914609306 hasRelatedWork W2157540270 @default.
• W2914609306 hasRelatedWork W2748952813 @default.
• W2914609306 hasRelatedWork W2899084033 @default.
• W2914609306 hasRelatedWork W2961085424 @default.
• W2914609306 hasRelatedWork W3046775127 @default.
• W2914609306 hasRelatedWork W4286629047 @default.
• W2914609306 hasRelatedWork W4306321456 @default.
• W2914609306 hasRelatedWork W4306674287 @default.
• W2914609306 hasRelatedWork W4224009465 @default.
• W2914609306 hasVolume "91" @default.
• W2914609306 isParatext "false" @default.

• next