FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2895839097> ?p ?o ?g. }

• W2895839097 abstract "The current gold standard for unambiguous identification in metabolomics analysis is based on comparing two or more orthogonal properties from the analysis of authentic, pure reference materials (standards) to experimental data acquired in the same laboratory with the same analytical methods. This represents a significant limitation for comprehensive chemical identification of small molecules in complex samples since this process is time-consuming and costly, and the majority of molecules are not yet represented by standards, leading to a need for standards-free identification. To address this need, we are advancing chemical property calculations and developing multi-attribute scoring and matching algorithms to utilize data from multiple analytical platforms through the utilization and creation of the in silico Chemical Library Engine (ISiCLE) and the Multi-Attribute Matching Engine (MAME). Here, we describe our results in a blinded analysis of synthetic chemical mixtures as part of the U.S. Environmental Protection Agency's (EPA) Non-Targeted Analysis Collaborative Trial (ENTACT). The blinded false negative rate (FNR), false discovery rate (FDR), and accuracy were 57%, 77%, and 91%, respectively. For high confidence identifications, the FDR was 35%. After unblinding of the sample compositions, we improved our approach by optimizing the scoring parameters used to increase confidence. The final FNR, FDR, and accuracy were 67%, 53%, and 96%, respectively. For high confidence identifications, the FDR was 10%. This study demonstrates that standards-free small molecule identification and multi-attribute matching methods can significantly reduce reliance on standards." @default.
• W2895839097 created "2018-10-26" @default.
• W2895839097 creator A5038344776 @default.
• W2895839097 creator A5048566926 @default.
• W2895839097 creator A5051101756 @default.
• W2895839097 creator A5052412732 @default.
• W2895839097 creator A5061234285 @default.
• W2895839097 creator A5063958230 @default.
• W2895839097 creator A5078420180 @default.
• W2895839097 creator A5085367465 @default.
• W2895839097 creator A5090404750 @default.
• W2895839097 creator A5091476377 @default.
• W2895839097 date "2018-10-17" @default.
• W2895839097 modified "2023-09-27" @default.
• W2895839097 title "Advancing Standards-Free Methods for the Identification of Small Molecules in Complex Samples" @default.
• W2895839097 cites W1963879600 @default.
• W2895839097 cites W1965092590 @default.
• W2895839097 cites W1970800786 @default.
• W2895839097 cites W2035789337 @default.
• W2895839097 cites W2086681655 @default.
• W2895839097 cites W2124807872 @default.
• W2895839097 cites W2125069590 @default.
• W2895839097 cites W2132066552 @default.
• W2895839097 cites W2159191323 @default.
• W2895839097 cites W2338228305 @default.
• W2895839097 cites W2474124643 @default.
• W2895839097 cites W2548357532 @default.
• W2895839097 cites W2560273460 @default.
• W2895839097 cites W2562386373 @default.
• W2895839097 cites W2594306208 @default.
• W2895839097 cites W2616078494 @default.
• W2895839097 cites W2768082169 @default.
• W2895839097 cites W2779125761 @default.
• W2895839097 cites W2792481201 @default.
• W2895839097 cites W3015571647 @default.
• W2895839097 hasPublicationYear "2018" @default.
• W2895839097 type Work @default.
• W2895839097 sameAs 2895839097 @default.
• W2895839097 citedByCount "2" @default.
• W2895839097 countsByYear W28958390972018 @default.
• W2895839097 countsByYear W28958390972019 @default.
• W2895839097 crossrefType "posted-content" @default.
• W2895839097 hasAuthorship W2895839097A5038344776 @default.
• W2895839097 hasAuthorship W2895839097A5048566926 @default.
• W2895839097 hasAuthorship W2895839097A5051101756 @default.
• W2895839097 hasAuthorship W2895839097A5052412732 @default.
• W2895839097 hasAuthorship W2895839097A5061234285 @default.
• W2895839097 hasAuthorship W2895839097A5063958230 @default.
• W2895839097 hasAuthorship W2895839097A5078420180 @default.
• W2895839097 hasAuthorship W2895839097A5085367465 @default.
• W2895839097 hasAuthorship W2895839097A5090404750 @default.
• W2895839097 hasAuthorship W2895839097A5091476377 @default.
• W2895839097 hasConcept C104317684 @default.
• W2895839097 hasConcept C105795698 @default.
• W2895839097 hasConcept C111919701 @default.
• W2895839097 hasConcept C116834253 @default.
• W2895839097 hasConcept C124101348 @default.
• W2895839097 hasConcept C165064840 @default.
• W2895839097 hasConcept C185592680 @default.
• W2895839097 hasConcept C193244246 @default.
• W2895839097 hasConcept C33923547 @default.
• W2895839097 hasConcept C41008148 @default.
• W2895839097 hasConcept C44249647 @default.
• W2895839097 hasConcept C55493867 @default.
• W2895839097 hasConcept C59822182 @default.
• W2895839097 hasConcept C86803240 @default.
• W2895839097 hasConcept C98045186 @default.
• W2895839097 hasConceptScore W2895839097C104317684 @default.
• W2895839097 hasConceptScore W2895839097C105795698 @default.
• W2895839097 hasConceptScore W2895839097C111919701 @default.
• W2895839097 hasConceptScore W2895839097C116834253 @default.
• W2895839097 hasConceptScore W2895839097C124101348 @default.
• W2895839097 hasConceptScore W2895839097C165064840 @default.
• W2895839097 hasConceptScore W2895839097C185592680 @default.
• W2895839097 hasConceptScore W2895839097C193244246 @default.
• W2895839097 hasConceptScore W2895839097C33923547 @default.
• W2895839097 hasConceptScore W2895839097C41008148 @default.
• W2895839097 hasConceptScore W2895839097C44249647 @default.
• W2895839097 hasConceptScore W2895839097C55493867 @default.
• W2895839097 hasConceptScore W2895839097C59822182 @default.
• W2895839097 hasConceptScore W2895839097C86803240 @default.
• W2895839097 hasConceptScore W2895839097C98045186 @default.
• W2895839097 hasLocation W28958390971 @default.
• W2895839097 hasOpenAccess W2895839097 @default.
• W2895839097 hasPrimaryLocation W28958390971 @default.
• W2895839097 hasRelatedWork W1986328076 @default.
• W2895839097 hasRelatedWork W1993647605 @default.
• W2895839097 hasRelatedWork W2014131946 @default.
• W2895839097 hasRelatedWork W2052087727 @default.
• W2895839097 hasRelatedWork W2092833813 @default.
• W2895839097 hasRelatedWork W2111168053 @default.
• W2895839097 hasRelatedWork W2113381588 @default.
• W2895839097 hasRelatedWork W2413747597 @default.
• W2895839097 hasRelatedWork W2435243724 @default.
• W2895839097 hasRelatedWork W2591150659 @default.
• W2895839097 hasRelatedWork W2623602643 @default.
• W2895839097 hasRelatedWork W2767808924 @default.
• W2895839097 hasRelatedWork W2950101967 @default.
• W2895839097 hasRelatedWork W2983396887 @default.
• W2895839097 hasRelatedWork W2992801030 @default.

• next